Geometry & MOs

Info

ID:	441413
PubChem CID:	135234569
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	336.097329
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	5.77
IP(EA), eV:	-8.47(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[4-ethyl-2-hydroxy-3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1N)OC)CC(=O)Cl

DOS

IR

Vibrations