Geometry & MOs

Info

ID:	261064
PubChem CID:	103215944
Reduced:	ClINC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	426.96585
ΔH_f, kcal/mol:	45.76
Dipole, Da:	0.51
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-benzothiophen-7-yl-(3-chloro-4-iodophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations