Geometry & MOs

Info

ID:

59576

PubChem CID:

24875327

Reduced:

ClN2O10C28H37 (1)

Stoich.:

AB2C10D28E37 (1)

Weight, g/mol:

486.183397

ΔHf, kcal/mol:

-353.9

Dipole, Da:

10.68

IP(EA), eV:

 -9.66(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(4-morpholin-4-ylcyclohexyl)oxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CNC(=O)CCCO[N+](=O)[O-])O)C)O)Cl)C

DOS

IR

Vibrations