Geometry & MOs

Info

ID:	31270
PubChem CID:	855449
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	4.29
IP(EA), eV:	-8.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N(CC)CC

DOS

IR

Vibrations