Geometry & MOs

Info

ID:	371781
PubChem CID:	131271625
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	351.93632
ΔH_f, kcal/mol:	2.1
Dipole, Da:	5.12
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-chloro-2-oxopropyl)-2-iodobenzoate

Drug info:

PubChemData

Smile

C1CC(CNC1)(C2=CC=CC=C2C#N)O

DOS

IR

Vibrations