Geometry & MOs

Info

ID:	41343
PubChem CID:	8145694
Reduced:	NOC7H8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	8.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767946
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations