Geometry & MOs

Info

ID:	445492
PubChem CID:	135267380
Reduced:	ClON6H23C26 (1)
Stoich.:	ABC6D23E26 (1)
Weight, g/mol:	398.129824
ΔH_f, kcal/mol:	86.2
Dipole, Da:	3.22
IP(EA), eV:	-8.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chloro-9-cyclopropylidenepyrido[3,2-c][1,5]naphthyridin-10-yl)phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C/C(=C/C=C(N)N)/C1=CC2=CN=C3C=CC(=NC3=C2N(C1=O)C4=CC=C(C=C4)C(C)(C)C#N)Cl

DOS

IR

Vibrations