Geometry & MOs

Info

ID:	82892
PubChem CID:	49856756
Reduced:	BrNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	3.28
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2,2-dimethyl-3,4-dihydrochromene-4,7-diol

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)C(C(=O)C3=C(O2)C=C(C=C3)O)Br

DOS

IR

Vibrations