Geometry & MOs

Info

ID:	411012
PubChem CID:	135083817
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	250.02046
ΔH_f, kcal/mol:	39.05
Dipole, Da:	6.37
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(1-bromopentan-3-yloxy)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN/C(=C(/C#N)\C1=CC=CC=C1)/C

DOS

IR

Vibrations