Geometry & MOs

Info

ID:	19771
PubChem CID:	572400
Reduced:	NF3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	341.123878
ΔH_f, kcal/mol:	-281.61
Dipole, Da:	1.04
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(CC(C(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O)C

DOS

IR

Vibrations