Geometry & MOs

Info

ID:	368407
PubChem CID:	127328332
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C1(CCCN1C(=O)C2=CC=CC=C2)C)N3CCN(CC3)C

DOS

IR

Vibrations