Geometry & MOs

Info

ID:	272230
PubChem CID:	103736114
Reduced:	ClO3N5H8C10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	361.94314
ΔH_f, kcal/mol:	29.39
Dipole, Da:	4.61
IP(EA), eV:	-9.39(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations