Geometry & MOs

Info

ID:	412797
PubChem CID:	135085726
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	306.04667
ΔH_f, kcal/mol:	5.26
Dipole, Da:	2.34
IP(EA), eV:	-9.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(bromomethyl)-2-but-3-enylpropanedioate

Drug info:

PubChemData

Smile

CC(=C)OC1=CN=CC=C1

DOS

IR

Vibrations