Geometry & MOs

Info

ID:	264191
PubChem CID:	103440006
Reduced:	ClN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	337.9476
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	5.23
IP(EA), eV:	-9.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-bromo-4-chlorophenyl)-4-chlorobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C1=CN=CN1C)Cl

DOS

IR

Vibrations