Geometry & MOs

Info

ID:	367942
PubChem CID:	127326117
Reduced:	OSN4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	4.82
IP(EA), eV:	-8.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-4-(oxan-2-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations