Geometry & MOs

Info

ID:	227544
PubChem CID:	87561959
Reduced:	ClON2H19C24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	344.01718
ΔH_f, kcal/mol:	55.13
Dipole, Da:	3.6
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(2-bromo-5-fluoropyridine-4-carbonyl)-3-(dimethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C5=CC=CC(=C5)C=O

DOS

IR

Vibrations