Geometry & MOs

Info

ID:	255660
PubChem CID:	103133831
Reduced:	OSN3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	37.77
Dipole, Da:	6.45
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methylpyrazol-3-yl)pentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations