Geometry & MOs

Info

ID:	144464
PubChem CID:	53372835
Reduced:	O2N5H21C24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	375.068701
ΔH_f, kcal/mol:	28.96
Dipole, Da:	3.13
IP(EA), eV:	-9.17(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-4-pyrrolo[2,3-d]pyrimidin-7-yl-1,8-naphthyridine

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC=CC(=N3)/C=C\4/C(=O)NC(=O)N4CC5=CC=CC=C5

DOS

IR

Vibrations