Geometry & MOs

Info

ID:	269107
PubChem CID:	103614162
Reduced:	ClN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	361.94314
ΔH_f, kcal/mol:	-152.46
Dipole, Da:	4.33
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-iodophenyl)-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)COCCOC)Cl

DOS

IR

Vibrations