Geometry & MOs

Info

ID:	367945
PubChem CID:	127326120
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	5.92
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CCC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations