Geometry & MOs

Info

ID:	157661
PubChem CID:	56436356
Reduced:	ClOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	385.197712
ΔH_f, kcal/mol:	68.79
Dipole, Da:	5.91
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pentanamide

Drug info:

PubChemData

Smile

CC(CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)N4C=C(C=N4)Cl

DOS

IR

Vibrations