Geometry & MOs

Info

ID:	237681
PubChem CID:	92720639
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	2.9
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCNC4=CC=CC=C4C3

DOS

IR

Vibrations