Geometry & MOs

Info

ID:	224598
PubChem CID:	85345185
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	1.69
IP(EA), eV:	-8.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyoxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-3-ol

Drug info:

PubChemData

Smile

CC1CC2CCN3C2C(C1)C4=CC5=C(C=C4C3)OCO5

DOS

IR

Vibrations