Geometry & MOs

Info

ID:	293923
PubChem CID:	117416305
Reduced:	ClN2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	264.012013
ΔH_f, kcal/mol:	13.15
Dipole, Da:	2.92
IP(EA), eV:	-8.74(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC(=CC(=C1)C2CC(CN2C)CN)Cl

DOS

IR

Vibrations