Geometry & MOs

Info

ID:	312497
PubChem CID:	126605928
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	430.107565
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	4.92
IP(EA), eV:	-8.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-cyclopropylethyl]-2-[4,5-dichloro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)C1=CNC2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3)OC)NC

DOS

IR

Vibrations