Geometry & MOs

Info

ID:	152341
PubChem CID:	56311256
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	3.86
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NN3C(=O)C4(CCCCC4)NC3=O

DOS

IR

Vibrations