Geometry & MOs

Info

ID:	41187
PubChem CID:	8145420
Reduced:	FSN4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	366.181767
ΔH_f, kcal/mol:	18.06
Dipole, Da:	5.69
IP(EA), eV:	-8.12(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations