Geometry & MOs

Info

ID:	41229
PubChem CID:	8145498
Reduced:	FON4C25H25 (1)
Stoich.:	ABC4D25E25 (1)
Weight, g/mol:	380.197417
ΔH_f, kcal/mol:	26.43
Dipole, Da:	2.25
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations