Geometry & MOs

Info

ID:	367956
PubChem CID:	127326139
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-40.52
Dipole, Da:	6.23
IP(EA), eV:	-8.35(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(C)C(=O)NC3=C(N(N=C3C)C)C

DOS

IR

Vibrations