Geometry & MOs

Info

ID:	6625
PubChem CID:	69273
Reduced:	IO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	261.94908
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	1.66
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-iodobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)I

DOS

IR

Vibrations