Geometry & MOs

Info

ID:	398446
PubChem CID:	135033343
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	339.99603
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	4.31
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-1-naphthalen-2-ylethyl) acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(C=CC3=CC=CC=C32)C(=O)N(C1=O)C)C

DOS

IR

Vibrations