Geometry & MOs

Info

ID:	388151
PubChem CID:	134988330
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	310.05684
ΔH_f, kcal/mol:	-180.85
Dipole, Da:	1.2
IP(EA), eV:	-10.25(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-(2-bromophenyl)-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(CC=C)C(=O)OC

DOS

IR

Vibrations