Geometry & MOs

Info

ID:	145521
PubChem CID:	53537129
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	455.216869
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	3.04
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]butanoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NCC(=O)NC2(CCCCCC2)C#N

DOS

IR

Vibrations