Geometry & MOs

Info

ID:	228706
PubChem CID:	87565578
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	514.149125
ΔH_f, kcal/mol:	51.61
Dipole, Da:	2.35
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC(=NO)C=CC1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations