Geometry & MOs

Info

ID:	429354
PubChem CID:	135169328
Reduced:	SO3N4C14H18 (2)
Stoich.:	AB3C4D14E18 (2)
Weight, g/mol:	274.121846
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	9.61
IP(EA), eV:	-9.33(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations