Geometry & MOs

Info

ID:	372296
PubChem CID:	131295748
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	340.93605
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	5.62
IP(EA), eV:	-9.59(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(difluoromethyl)-5-iodo-4-nitrophenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=NC(=O)C1C=O)Cl

DOS

IR

Vibrations