Geometry & MOs

Info

ID:	294984
PubChem CID:	117510542
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-134.56
Dipole, Da:	7.94
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1OC)OC)C2(CC2)CC(=O)O)Br

DOS

IR

Vibrations