Geometry & MOs

Info

ID:	324114
PubChem CID:	126676943
Reduced:	IOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	13.49
Dipole, Da:	2.06
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,4R)-3-(hydroxymethyl)-4-(3-methoxyphenyl)-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C=COC2=C1C=C(C=C2)I

DOS

IR

Vibrations