Geometry & MOs

Info

ID:	41208
PubChem CID:	8145459
Reduced:	FSN5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	400.142794
ΔH_f, kcal/mol:	71.78
Dipole, Da:	5.03
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NN(C(=S)N2C3=CC=CC=C13)CN4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations