Geometry & MOs

Info

ID:	339476
PubChem CID:	127261409
Reduced:	ClON2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	306.00039
ΔH_f, kcal/mol:	22.6
Dipole, Da:	5.75
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-6-pyridin-2-ylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)/C(=C\C2=CC3=CC=CC=C3C=C2)/C#N.Cl

DOS

IR

Vibrations