Geometry & MOs

Info

ID:	41380
PubChem CID:	8145758
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	426.202896
ΔH_f, kcal/mol:	52.67
Dipole, Da:	3.62
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN2[C@@H](C=C1)C([C@H]([C@H]2C(=O)N)C3=CN=CC=C3)(C#N)C#N

DOS

IR

Vibrations