Geometry & MOs

Info

ID:	323970
PubChem CID:	126676696
Reduced:	O5C8H16 (1)
Stoich.:	A5B8C16 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-239.41
Dipole, Da:	3.1
IP(EA), eV:	-10.13(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[3-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1[C@H](C(C[C@H](O1)OC)O)O)O

DOS

IR

Vibrations