Geometry & MOs

Info

ID:	16296
PubChem CID:	463756
Reduced:	ON5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	253.09636
ΔH_f, kcal/mol:	54.09
Dipole, Da:	2.87
IP(EA), eV:	-8.91(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-3-(3-methylanilino)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NC(=CN=C2C(=O)N)C#N

DOS

IR

Vibrations