Geometry & MOs

Info

ID:	373823
PubChem CID:	131320373
Reduced:	N3C10H19 (1)
Stoich.:	A3B10C19 (1)
Weight, g/mol:	340.91606
ΔH_f, kcal/mol:	17.46
Dipole, Da:	4.02
IP(EA), eV:	-9.02(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-2-iodo-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CN(C)CC(C#N)C1CCNCC1

DOS

IR

Vibrations