Geometry & MOs

Info

ID:	123990
PubChem CID:	50869138
Reduced:	ClO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	513.08187
ΔH_f, kcal/mol:	3.72
Dipole, Da:	2.51
IP(EA), eV:	-7.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations