Geometry & MOs

Info

ID:	226694
PubChem CID:	87556914
Reduced:	I2N2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	197.070145
ΔH_f, kcal/mol:	20.33
Dipole, Da:	2.34
IP(EA), eV:	-8.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-bis(cyanomethyl)pyrimidin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C(=C1C)I)N)CC2=C(C(=C(C(=C2)CCC)C)I)N

DOS

IR

Vibrations