Geometry & MOs

Info

ID:	233566
PubChem CID:	91145474
Reduced:	NO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	338.01537
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	2.21
IP(EA), eV:	-8.08(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-bromo-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-4,5,10-triol

Drug info:

PubChemData

Smile

CN1C(=C2CCC2=C1O)O

DOS

IR

Vibrations