Geometry & MOs

Info

ID:	160353
PubChem CID:	57309701
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	545.23659
ΔH_f, kcal/mol:	22.49
Dipole, Da:	1.98
IP(EA), eV:	-8.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropyl 4-(16-iodohexadecylamino)benzoate

Drug info:

PubChemData

Smile

C1C(=CC2=CC=C(C=C2)O)C3=C(N1)C(=CC=C3)N

DOS

IR

Vibrations