Geometry & MOs

Info

ID:	150251
PubChem CID:	53789939
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	318.01168
ΔH_f, kcal/mol:	22.58
Dipole, Da:	6.29
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(2-iodo-5-methylphenyl)acetate

Drug info:

PubChemData

Smile

CNNCC1=CC=C(C=C1)C(=O)NCCC#N

DOS

IR

Vibrations