Geometry & MOs

Info

ID:	338277
PubChem CID:	127258969
Reduced:	OCl3N3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	153.009375
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	2.73
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)N.Cl.Cl.Cl

DOS

IR

Vibrations