Geometry & MOs

Info

ID:	197433
PubChem CID:	78965652
Reduced:	N6H8C9 (1)
Stoich.:	A6B8C9 (1)
Weight, g/mol:	255.075625
ΔH_f, kcal/mol:	129.32
Dipole, Da:	2.68
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-4-(pyrazin-2-ylmethylamino)benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations