Geometry & MOs

Info

ID:	152460
PubChem CID:	56311391
Reduced:	F3O3N4C25H27 (1)
Stoich.:	A3B3C4D25E27 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-241.65
Dipole, Da:	4.86
IP(EA), eV:	-9.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)N3CC(=O)NC4=C3C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations