Geometry & MOs

Info

ID:	340940
PubChem CID:	127263375
Reduced:	BrO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	268.00989
ΔH_f, kcal/mol:	-93.64
Dipole, Da:	2.08
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@H]1CCC2=C(O1)C=CC(=C2)Br

DOS

IR

Vibrations