Geometry & MOs

Info

ID:	142531
PubChem CID:	53051538
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	50.68
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(N=N3)C

DOS

IR

Vibrations