Geometry & MOs

Info

ID:	261076
PubChem CID:	103216390
Reduced:	ClION3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	349.00942
ΔH_f, kcal/mol:	27.76
Dipole, Da:	1.62
IP(EA), eV:	-8.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-iodophenyl)-cyclobutylmethyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)OC)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations