Geometry & MOs

Info

ID:	135728
PubChem CID:	51921628
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	318.98312
ΔH_f, kcal/mol:	9.1
Dipole, Da:	5.26
IP(EA), eV:	-7.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-iodo-4-(propan-2-yloxymethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C2NC(=C[N+]2=CC=C1)C[NH+](C)CC(=O)NC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations