Geometry & MOs

Info

ID:	234988
PubChem CID:	92303837
Reduced:	ON2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	402.191898
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	2.53
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1H-indol-3-yl)-N-(3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@@H](C1=CC=C(C=C1)C(C)(C)C)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations