Geometry & MOs

Info

ID:	176166
PubChem CID:	76003022
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	1.56
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C12CCCCC=C1N(C(=O)C(C2)CC(=O)N3CCCC3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations