Geometry & MOs

Info

ID:	172895
PubChem CID:	75568226
Reduced:	ClON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	449.257946
ΔH_f, kcal/mol:	9.36
Dipole, Da:	4.79
IP(EA), eV:	-7.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,6-dimethyl-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)C=NNC(=O)C3=CC=CC=C3Cl)C(=CC1(C)C)C

DOS

IR

Vibrations