Geometry & MOs

Info

ID:	339559
PubChem CID:	127261549
Reduced:	O5H24C28 (1)
Stoich.:	A5B24C28 (1)
Weight, g/mol:	340.06741
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	9.97
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylphenyl)-2-oxoethyl] heptanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(\C(=O)O)/CC(C(=O)C2=CC=CC=C2)C/C(=C/C3=CC=CC=C3)/C(=O)O

DOS

IR

Vibrations