Geometry & MOs

Info

ID:	78776
PubChem CID:	49718667
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	3.46
IP(EA), eV:	-8.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations