Geometry & MOs

Info

ID:	24514
PubChem CID:	610699
Reduced:	BrO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	352.06741
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	1.21
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C=CC1=CC=C(C=C1)Br)C(=O)OCC

DOS

IR

Vibrations