Geometry & MOs

Info

ID:	309670
PubChem CID:	126553621
Reduced:	ClON6H11C12 (1)
Stoich.:	ABC6D11E12 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	97.18
Dipole, Da:	1.73
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-methylpyridin-3-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)C2=C(C=CC(=C2)Cl)N3C=NNN3

DOS

IR

Vibrations