Geometry & MOs

Info

ID:	362455
PubChem CID:	127307851
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	310.236876
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	5.08
IP(EA), eV:	-8.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2CCCN2C(=O)C3=CC=CC=C3O)C

DOS

IR

Vibrations