Geometry & MOs

Info

ID:	373435
PubChem CID:	131315265
Reduced:	ClNO2F4H4C7 (1)
Stoich.:	ABC2D4E4F7 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-269.56
Dipole, Da:	4.9
IP(EA), eV:	-9.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-4-ethyl-2-(hydroxymethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=C(N1)OC(F)(F)F)CCl)F

DOS

IR

Vibrations