Geometry & MOs

Info

ID:	373773
PubChem CID:	131319936
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	312.92115
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	2.71
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-4-fluoro-6-iodobenzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C(C1O)C(=CC=C2)Cl

DOS

IR

Vibrations