Geometry & MOs

Info

ID:	312310
PubChem CID:	126604241
Reduced:	ClO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	364.12415
ΔH_f, kcal/mol:	-161.36
Dipole, Da:	2.52
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chloro-2,4-diethylphenoxy)methyl]-3-fluorophenyl] propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OC(=O)CC)OCC)Cl

DOS

IR

Vibrations