Geometry & MOs

Info

ID:	124016
PubChem CID:	50869899
Reduced:	SN2O3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	465.252861
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	6.72
IP(EA), eV:	-7.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-amino-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CCC)C(=CC1(C)C)C

DOS

IR

Vibrations