Geometry & MOs

Info

ID:	222265
PubChem CID:	85295834
Reduced:	ClNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	283.99094
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	4.77
IP(EA), eV:	-9.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-(iodomethylidene)-4-methylpentanoate

Drug info:

PubChemData

Smile

COC(=O)N1C(CCC1C(=O)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations