Geometry & MOs

Info

ID:	228658
PubChem CID:	87565494
Reduced:	ClOF3N3C25H25 (1)
Stoich.:	ABC3D3E25F25 (1)
Weight, g/mol:	475.163825
ΔH_f, kcal/mol:	-147.74
Dipole, Da:	5.35
IP(EA), eV:	-9.34(-0.83)
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]-N-methyl-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)NC)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations