Geometry & MOs

Info

ID:	137583
PubChem CID:	52230358
Reduced:	SN5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	149.54
Dipole, Da:	6.39
IP(EA), eV:	-9.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]phenol

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)CN3CCC4=C([C@@H]3C5=CC=CC=C5)C=CS4

DOS

IR

Vibrations