Geometry & MOs

Info

ID:	62681
PubChem CID:	26732722
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	3.78
IP(EA), eV:	-9.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 4-(4-chloro-3-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC=CO2

DOS

IR

Vibrations