Geometry & MOs

Info

ID:	66085
PubChem CID:	46491048
Reduced:	F3O3N4H21C23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	357.155178
ΔH_f, kcal/mol:	-205.84
Dipole, Da:	8.83
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-phenyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)C3CC(=O)N(C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations