Geometry & MOs

Info

ID:	235222
PubChem CID:	92304239
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	414.191898
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	3.28
IP(EA), eV:	-7.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(=O)C[C@@H](C1=CC(=C(C=C1)OC)OC)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations