Geometry & MOs

Info

ID:	161876
PubChem CID:	57392911
Reduced:	FON6C24H25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	390.94333
ΔH_f, kcal/mol:	29.96
Dipole, Da:	8.9
IP(EA), eV:	-8.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-bromothiophen-2-yl)-3-(2-chloro-7-methylquinolin-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)NC2=NC3=C(C=C(C=C3)N(C)C(=O)/C=C/CN(C)C)N4C2=CN=C4

DOS

IR

Vibrations