Geometry & MOs

Info

ID:	387080
PubChem CID:	134983910
Reduced:	NO15C25H37 (1)
Stoich.:	AB15C25D37 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-646.82
Dipole, Da:	6.91
IP(EA), eV:	-10.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methyl-4-nitro-2-phenylcyclobutyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(C(C[N+](=O)[O-])[C@@H]([C@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations