Geometry & MOs

Info

ID:	142899
PubChem CID:	53111204
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	28.21
Dipole, Da:	5.36
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(N=N3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations