Geometry & MOs

Info

ID:	344561
PubChem CID:	127268145
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	6.18
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations