Geometry & MOs

Info

ID:	61323
PubChem CID:	26708191
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	378.155512
ΔH_f, kcal/mol:	-236.01
Dipole, Da:	5.31
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-oxo-3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations