Geometry & MOs

Info

ID:	228709
PubChem CID:	87565587
Reduced:	LiNC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	495.109202
ΔH_f, kcal/mol:	19.57
Dipole, Da:	5.46
IP(EA), eV:	-6.8(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-2-[[(1R)-1-(6-chloropyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

[Li+].CCN(CC)C([CH2-])C1=CC=CC=C1

DOS

IR

Vibrations