Geometry & MOs

Info

ID:	245760
PubChem CID:	103023841
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	1.94
IP(EA), eV:	-9.34(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-(1-methylpyrazol-4-yl)heptan-3-one

Drug info:

PubChemData

Smile

CCCC(CCC(=O)CCC1=CN(N=C1)C)CCN

DOS

IR

Vibrations