Geometry & MOs

Info

ID:	142992
PubChem CID:	53129390
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	473.182495
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	6.56
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-3H-quinazolin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)CCC(=O)NCC(C)C

DOS

IR

Vibrations