Geometry & MOs

Info

ID:	430404
PubChem CID:	135170468
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	10.78
Dipole, Da:	1.48
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(3-methylpentan-3-yl)pyrazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(C)(C)SC)C

DOS

IR

Vibrations