Geometry & MOs

Info

ID:	267677
PubChem CID:	103584233
Reduced:	BrClN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	315.96142
ΔH_f, kcal/mol:	33.43
Dipole, Da:	4.18
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-3-chloropyridin-2-yl)-2-cyanopropanoate

Drug info:

PubChemData

Smile

CCC1(CN(C1)C2=C(C=C(C=N2)Br)Cl)N

DOS

IR

Vibrations