Geometry & MOs

Info

ID:	123980
PubChem CID:	50868626
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	493.13649
ΔH_f, kcal/mol:	5.14
Dipole, Da:	4.69
IP(EA), eV:	-7.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=N/NC(=O)C3=CC4=CC=CC=C4O3)C(=CC1(C)C)C

DOS

IR

Vibrations