Geometry & MOs

Info

ID:	36962
PubChem CID:	8015403
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	7.48
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-benzoyl-2-nitrophenyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

DOS

IR

Vibrations