Geometry & MOs

Info

ID:	429280
PubChem CID:	135169193
Reduced:	ClO3N6C28H31 (1)
Stoich.:	AB3C6D28E31 (1)
Weight, g/mol:	481.202637
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-fluoro-4-piperidin-1-ylquinolin-6-yl)-N-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations