Geometry & MOs

Info

ID:	202090
PubChem CID:	79627201
Reduced:	ClNOC16H26 (1)
Stoich.:	ABCD16E26 (1)
Weight, g/mol:	296.257612
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	2.33
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(C)(C)CNC(C)C)C)Cl

DOS

IR

Vibrations