Geometry & MOs

Info

ID:	41225
PubChem CID:	8145494
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	380.197417
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.79
IP(EA), eV:	-8.28(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations