Geometry & MOs

Info

ID:	237632
PubChem CID:	92720066
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-145.06
Dipole, Da:	5.12
IP(EA), eV:	-8.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC1=C(C(=O)C1=O)N2CCC(CC2)C(=O)OCC

DOS

IR

Vibrations