Geometry & MOs

Info

ID:	142532
PubChem CID:	53051539
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	348.0022
ΔH_f, kcal/mol:	49.25
Dipole, Da:	4.25
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(N=N3)C

DOS

IR

Vibrations