Geometry & MOs

Info

ID:	230669
PubChem CID:	87571606
Reduced:	N2O3C21H42 (1)
Stoich.:	A2B3C21D42 (1)
Weight, g/mol:	503.28964
ΔH_f, kcal/mol:	-203.59
Dipole, Da:	8.68
IP(EA), eV:	-9.35(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CC)CN[C@@H](CCC(=O)O)C(=O)N(CCCC)CCCC

DOS

IR

Vibrations