Geometry & MOs

Info

ID:	237633
PubChem CID:	92720067
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-140.34
Dipole, Da:	7.11
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-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