Geometry & MOs

Info

ID:	41342
PubChem CID:	8145692
Reduced:	FO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	366.181767
ΔH_f, kcal/mol:	-103.72
Dipole, Da:	2.2
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=O)N(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations