Geometry & MOs

Info

ID:	367842
PubChem CID:	127325950
Reduced:	OSN6C18H30 (1)
Stoich.:	ABC6D18E30 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	28.4
Dipole, Da:	1.83
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C(C)SC3=NN=NN3C4CC4

DOS

IR

Vibrations