Geometry & MOs

Info

ID:	246958
PubChem CID:	103065794
Reduced:	ClNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	170.061076
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	3.46
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]-5-methylpyrazole

Drug info:

PubChemData

Smile

C=C(CN1CCC2=CC=CC=C2C1=O)CCl

DOS

IR

Vibrations