Geometry & MOs

Info

ID:	159315
PubChem CID:	57269559
Reduced:	N2O2C9H20 (1)
Stoich.:	A2B2C9D20 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	0.66
IP(EA), eV:	-8.15(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R)-3-(hydroxymethyl)-2-phenylcyclohexan-1-ol

Drug info:

PubChemData

Smile

COC(NN1CCCCCC1)OC

DOS

IR

Vibrations