Geometry & MOs

Info

ID:	61220
PubChem CID:	26707207
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	461.161853
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	4.76
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations