Geometry & MOs

Info

ID:	272229
PubChem CID:	103736063
Reduced:	ClIN2O2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	281.031567
ΔH_f, kcal/mol:	16.23
Dipole, Da:	5.26
IP(EA), eV:	-9.58(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations