Geometry & MOs

Info

ID:	146485
PubChem CID:	53696399
Reduced:	N5O13C24H49 (1)
Stoich.:	A5B13C24D49 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-439.21
Dipole, Da:	7.78
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-propoxy-6-oxabicyclo[3.2.1]octa-1(8),2,4-triene-7-carboxylate

Drug info:

PubChemData

Smile

C1C(N(CC(N(CC(N(CC(N1CCOO)CO)CC(=O)NCCOCCO)CO)CC(=O)O)CO)CCOO)CO

DOS

IR

Vibrations