Geometry & MOs

Info

ID:	216974
PubChem CID:	85087059
Reduced:	BrOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	321.084852
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	3.01
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,3-dimethoxy-3-oxoprop-1-enyl)-4-methoxyfuro[2,3-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C(=O)C1)(CC=CCBr)CC2=CC=CC=C2

DOS

IR

Vibrations