Geometry & MOs

Info

ID:	176168
PubChem CID:	76003024
Reduced:	N2O5C25H34 (1)
Stoich.:	A2B5C25D34 (1)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-210.6
Dipole, Da:	4.78
IP(EA), eV:	-9.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(furan-2-ylmethyl)-3-[2-(3-methoxypropylamino)-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC=C1N(C(=O)C(C2)CC(=O)NCC3CCCCC3)CC4=CC=CO4

DOS

IR

Vibrations