Geometry & MOs

Info

ID:	237631
PubChem CID:	92720065
Reduced:	N3O6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-179.25
Dipole, Da:	3.69
IP(EA), eV:	-8.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CC(=NO2)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations