Geometry & MOs

Info

ID:	41219
PubChem CID:	8145479
Reduced:	FO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-114.74
Dipole, Da:	4.76
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations