Geometry & MOs

Info

ID:	176167
PubChem CID:	76003023
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	1.59
IP(EA), eV:	-9.04(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-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)NCC#C)CC3=CC=CO3

DOS

IR

Vibrations