Geometry & MOs

Info

ID:	347943
PubChem CID:	127273005
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	338.268176
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	6.16
IP(EA), eV:	-8.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-methylpiperazin-1-yl)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCCN1C(=O)CC2=CC=CS2)N3CCN(CC3)C

DOS

IR

Vibrations