Geometry & MOs

Info

ID:	206714
PubChem CID:	80288620
Reduced:	OBr2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	3.57
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-ethoxyphenyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(C2=CC=CC=C2C)Br)Br

DOS

IR

Vibrations