Geometry & MOs

Info

ID:	232760
PubChem CID:	87576916
Reduced:	BrClO2N4C16H20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	556.198966
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	3.53
IP(EA), eV:	-9.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=C3N2N=C(C=C3Br)Cl

DOS

IR

Vibrations