Geometry & MOs

Info

ID:	319231
PubChem CID:	126655391
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	5.46
IP(EA), eV:	-8.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-methyl-1-(1H-pyrazol-5-yl)piperidine-3,4-diol

Drug info:

PubChemData

Smile

CC1(CN(CCC1=O)C2=NN(C=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations