Geometry & MOs

Info

ID:	123915
PubChem CID:	50865337
Reduced:	FOCl2N3H20C23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	9.34
IP(EA), eV:	-8.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)F)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)Cl)Cl)C)(C)C

DOS

IR

Vibrations