Geometry & MOs

Info

ID:	55452
PubChem CID:	17395413
Reduced:	ON5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	89.3
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations