Geometry & MOs

Info

ID:	157833
PubChem CID:	56437512
Reduced:	FO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	442.219175
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	4.57
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC=CC(=C1)CNC(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations