Geometry & MOs

Info

ID:	152636
PubChem CID:	56311643
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	7.76
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

DOS

IR

Vibrations