Geometry & MOs

Info

ID:	55451
PubChem CID:	17395412
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	343.14331
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	6.12
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-(5-methylpyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1Br)OC)C(=O)NCCC2=CC=CC=N2

DOS

IR

Vibrations