Geometry & MOs

Info

ID:	42426
PubChem CID:	8149542
Reduced:	ON2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	334.129298
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965814
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclopropylamino)-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1[NH2+][C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations