Geometry & MOs

Info

ID:	78775
PubChem CID:	49718666
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	6.32
IP(EA), eV:	-8.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations