Geometry & MOs

Info

ID:	363906
PubChem CID:	127313563
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	4.09
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-methylpyrazol-4-yl)-(3,3-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations