Geometry & MOs

Info

ID:	324312
PubChem CID:	126677414
Reduced:	NO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-220.48
Dipole, Da:	3.81
IP(EA), eV:	-10.09(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4R)-3-formyl-4-(4-methoxyphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=O)C(C12CC2)C(=O)OC

DOS

IR

Vibrations