Geometry & MOs

Info

ID:	229298
PubChem CID:	87567357
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	447.132524
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	1.59
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(6-chloropyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide

Drug info:

PubChemData

Smile

C/C=C/OC(C)OC(C)OC(=O)C=C

DOS

IR

Vibrations