Geometry & MOs

Info

ID:	392972
PubChem CID:	135018738
Reduced:	NOC26H39 (1)
Stoich.:	ABC26D39 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	2.7
IP(EA), eV:	-8.27(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-2-methyl-4,6-bis(phenylmethoxy)cyclohexane-1,3,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OCN(C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations