Geometry & MOs

Info

ID:	245842
PubChem CID:	103024191
Reduced:	ON3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	5.09
IP(EA), eV:	-8.64(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrazol-3-yl)nonan-3-one

Drug info:

PubChemData

Smile

CC(CC1CCCCN1CCC2=CN(N=C2)C)O

DOS

IR

Vibrations