Geometry & MOs

Info

ID:	359533
PubChem CID:	127298807
Reduced:	SO4N5C17H29 (1)
Stoich.:	AB4C5D17E29 (1)
Weight, g/mol:	364.283826
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	5.33
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)C

DOS

IR

Vibrations