Geometry & MOs

Info

ID:	379917
PubChem CID:	134964215
Reduced:	N3C9H13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	334.89795
ΔH_f, kcal/mol:	50.41
Dipole, Da:	5.01
IP(EA), eV:	-9.33(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-bromo-3-(3-bromopyridin-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCCC#N

DOS

IR

Vibrations