Geometry & MOs

Info

ID:	196750
PubChem CID:	78874382
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	4.83
IP(EA), eV:	-8.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl) 2-ethoxypropanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations