Geometry & MOs

Info

ID:	216469
PubChem CID:	85086284
Reduced:	ClNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	272.089603
ΔH_f, kcal/mol:	27.41
Dipole, Da:	2.84
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-diacetyloxy-4-formylcyclopentyl) acetate

Drug info:

PubChemData

Smile

C1CC(=NO)C2=C(C1C3=CC=CC=C3)C=CC(=C2)Cl

DOS

IR

Vibrations