Geometry & MOs

Info

ID:	168933
PubChem CID:	75041928
Reduced:	F3O5N6C30H37 (1)
Stoich.:	A3B5C6D30E37 (1)
Weight, g/mol:	486.249413
ΔH_f, kcal/mol:	-300.29
Dipole, Da:	5.15
IP(EA), eV:	-9.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)N(CC3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations