Geometry & MOs

Info

ID:	429326
PubChem CID:	135169295
Reduced:	ClO3N5C28H30 (1)
Stoich.:	AB3C5D28E30 (1)
Weight, g/mol:	336.137497
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	6.51
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridin-3-ylquinoline

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Cl)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations