Geometry & MOs

Info

ID:	246952
PubChem CID:	103065772
Reduced:	ClN4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	238.062139
ΔH_f, kcal/mol:	92.25
Dipole, Da:	7.97
IP(EA), eV:	-10.67(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(chloromethyl)prop-2-enyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=C(CN1C=NC(=N1)C#N)CCl

DOS

IR

Vibrations