Geometry & MOs

Info

ID:	363903
PubChem CID:	127313560
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	4.72
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-2-methylpyrazol-3-yl)-(3,3-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations