Geometry & MOs

Info

ID:	152948
PubChem CID:	56312044
Reduced:	OSN2C13H14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	22.67
Dipole, Da:	6.63
IP(EA), eV:	-8.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

DOS

IR

Vibrations