Geometry & MOs

Info

ID:	135627
PubChem CID:	51906132
Reduced:	ON2C18H37 (1)
Stoich.:	AB2C18D37 (1)
Weight, g/mol:	296.282764
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	1.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752496
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)CN1CC[NH+]([C@@H](C1)CCO)CC2CCCCC2

DOS

IR

Vibrations