Geometry & MOs

Info

ID:	177331
PubChem CID:	76168279
Reduced:	N2O4C15H17 (1)
Stoich.:	A2B4C15D17 (1)
Weight, g/mol:	294.085186
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	1.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760360
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-6-(4-nitrophenyl)-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC=CCCOC(=O)C1=CC=CC=C1NN=[C+]C(=O)OC

DOS

IR

Vibrations