Geometry & MOs

Info

ID:	264192
PubChem CID:	103440011
Reduced:	BrCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	337.9476
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	2.35
IP(EA), eV:	-9.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromo-2-chlorophenyl)-4-chlorobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C1=CC(=C(C=C1)Cl)Br)Cl

DOS

IR

Vibrations