Geometry & MOs

Info

ID:	47920
PubChem CID:	10535843
Reduced:	N3O3C8H10 (1)
Stoich.:	A3B3C8D10 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	7.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811935
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(=O)/C(=C(/N1CCCC1=O)\O)/[N+]#N

DOS

IR

Vibrations