Geometry & MOs

Info

ID:	245777
PubChem CID:	103023909
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	340.00726
ΔH_f, kcal/mol:	11.94
Dipole, Da:	3.78
IP(EA), eV:	-9.14(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CNCC=C

DOS

IR

Vibrations