Geometry & MOs

Info

ID:	255403
PubChem CID:	103131805
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	4.43
IP(EA), eV:	-8.28(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CCC2=C(N=CC=C2)N

DOS

IR

Vibrations