Geometry & MOs

Info

ID:	255661
PubChem CID:	103133841
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	5.3
IP(EA), eV:	-9.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCC(C)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations