Geometry & MOs

Info

ID:	142104
PubChem CID:	52981212
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	371.150801
ΔH_f, kcal/mol:	-47.43
Dipole, Da:	4.66
IP(EA), eV:	-8.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-oxo-4-phenyl-3H-quinazolin-1-ium-1-yl)-N-(pyridin-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2C(C(=O)C2=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations