Geometry & MOs

Info

ID:	235207
PubChem CID:	92304222
Reduced:	ON2F3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	416.207548
ΔH_f, kcal/mol:	-178.52
Dipole, Da:	6.04
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-3-methylbutan-2-yl]-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)C[C@H](C1=CC(=CC=C1)C(F)(F)F)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations