Geometry & MOs

Info

ID:

230721

PubChem CID:

87571737

Reduced:

O10C113H202 (1)

Stoich.:

A10B113C202 (1)

Weight, g/mol:

533.300205

ΔHf, kcal/mol:

-739.02

Dipole, Da:

4.38

IP(EA), eV:

 -9.25(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[bis(2-methoxyethyl)amino]-N-[7-cyclopropyl-2-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@@H](COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H](COCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations