Geometry & MOs

Info

ID:	41215
PubChem CID:	8145475
Reduced:	FSN6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	426.202896
ΔH_f, kcal/mol:	78.61
Dipole, Da:	1.68
IP(EA), eV:	-8.63(-0.69)
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]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=S)N(N=N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations