Geometry & MOs

Info

ID:	147334
PubChem CID:	53786990
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	227.96473
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	3.12
IP(EA), eV:	-8.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodoethyl propanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(C1=NC2=C(C=C(C=C2)O)C)C

DOS

IR

Vibrations