Geometry & MOs

Info

ID:	312510
PubChem CID:	126606129
Reduced:	IN3H6C8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	91.64
Dipole, Da:	5.3
IP(EA), eV:	-9.3(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[2-(methylamino)-5-methylsulfanylbenzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)C(=N)I)N

DOS

IR

Vibrations