Geometry & MOs

Info

ID:	341309
PubChem CID:	127264002
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-63.83
Dipole, Da:	3.56
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-methoxycarbonylphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations