Geometry & MOs

Info

ID:	228556
PubChem CID:	87565288
Reduced:	N2O3F7H25C27 (1)
Stoich.:	A2B3C7D25E27 (1)
Weight, g/mol:	382.063978
ΔH_f, kcal/mol:	-434.38
Dipole, Da:	6.25
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-5,5-bis(trifluoromethyl)cyclohex-3-ene-1,1-dicarboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)OC(F)F)OC(F)F

DOS

IR

Vibrations