Geometry & MOs

Info

ID:	413295
PubChem CID:	135086243
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.46
IP(EA), eV:	-9.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-4-hydroxy-3-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)NC(=O)C(=C2)C=C

DOS

IR

Vibrations