Geometry & MOs

Info

ID:	52244
PubChem CID:	12015051
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	380.02594
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	5.07
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hydroxymethyl)-7-methoxy-2,3-dihydroinden-1-yl]methyl 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=C)OC(=O)C1=C(C=CO1)C

DOS

IR

Vibrations