Geometry & MOs

Info

ID:	167618
PubChem CID:	74848498
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	416.161031
ΔH_f, kcal/mol:	-139.1
Dipole, Da:	2.19
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(3-methoxyphenyl)-2,4-dioxo-4aH-quinazolin-1-ium-1-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3CCCCC3N(C2=O)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations