Geometry & MOs

Info

ID:	323075
PubChem CID:	126672100
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	2.57
IP(EA), eV:	-8.63(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC(CCC(C)N1CCOC1)N2CCCC2

DOS

IR

Vibrations