Geometry & MOs

Info

ID:	41188
PubChem CID:	8145421
Reduced:	NOC7H8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	11.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858225
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@H]2CCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations