Geometry & MOs

Info

ID:	172366
PubChem CID:	75498982
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	343.14331
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	1.9
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-methyl-N-pyridin-4-ylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](CO)NC(=O)CN1C=C(N=N1)C2=CC=CC=C2

DOS

IR

Vibrations