Geometry & MOs

Info

ID:	234806
PubChem CID:	92303531
Reduced:	FN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	414.191898
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	2.37
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC(=CC=C2)F)C)COC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations