Geometry & MOs

Info

ID:	411337
PubChem CID:	135084160
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	320.8823
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	4.02
IP(EA), eV:	-10.12(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-5-[(Z)-2-bromoethenyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CO1)C(C)(C)C/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations