Geometry & MOs

Info

ID:	148169
PubChem CID:	53787831
Reduced:	BrO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	344.04119
ΔH_f, kcal/mol:	-136.88
Dipole, Da:	3.22
IP(EA), eV:	-10.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-bromophenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C(C)Br)OC

DOS

IR

Vibrations