Geometry & MOs

Info

ID:	197462
PubChem CID:	78968020
Reduced:	BrClO2N4H8C10 (1)
Stoich.:	ABC2D4E8F10 (1)
Weight, g/mol:	279.99597
ΔH_f, kcal/mol:	5.62
Dipole, Da:	4.93
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)Cl)NC(=O)C2=NNN=C2

DOS

IR

Vibrations