Geometry & MOs

Info

ID:	172890
PubChem CID:	75566654
Reduced:	ON3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	18.81
Dipole, Da:	3.65
IP(EA), eV:	-7.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC(=C3)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations