Geometry & MOs

Info

ID:	303748
PubChem CID:	124490128
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	2.76
IP(EA), eV:	-8.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-2-methyl-3,4-dihydro-2H-chromene-3,4-diol

Drug info:

PubChemData

Smile

CN1CC[C@]2([C@@H](C1)CC3=C(O2)C(=CC=C3)OC)O

DOS

IR

Vibrations