Geometry & MOs

Info

ID:	245782
PubChem CID:	103023918
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	3.26
IP(EA), eV:	-9.5(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CCC1=CC=NN1C)N

DOS

IR

Vibrations