Geometry & MOs

Info

ID:	235223
PubChem CID:	92304241
Reduced:	ON2F3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	414.191898
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	5.29
IP(EA), eV:	-8.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-methylindol-3-yl)-1-piperidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)N3CCCCC3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations