Geometry & MOs

Info

ID:	272978
PubChem CID:	103769425
Reduced:	BrClNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	361.94314
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	0.99
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)Br)C

DOS

IR

Vibrations