Geometry & MOs

Info

ID:	367626
PubChem CID:	127325116
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-118.86
Dipole, Da:	1.97
IP(EA), eV:	-9.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-1H-pyrazol-3-yl)-(3-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C(=O)NC2CC2)O

DOS

IR

Vibrations