Geometry & MOs

Info

ID:	176169
PubChem CID:	76003025
Reduced:	NO3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-238.85
Dipole, Da:	3.07
IP(EA), eV:	-9.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(furan-2-ylmethyl)-3-[2-(3-methylbutylamino)-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)NCCCOC)CC3=CC=CO3

DOS

IR

Vibrations