Geometry & MOs

Info

ID:	151577
PubChem CID:	53837811
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	352.0633
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	5.68
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2,4-dichlorophenoxy)phenyl]butanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)OC4=C3C=C(C=C4)C(=O)CCCN5CCN(CC5)C

DOS

IR

Vibrations