Geometry & MOs

Info

ID:	273972
PubChem CID:	103806196
Reduced:	ClION2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	398.02914
ΔH_f, kcal/mol:	11.05
Dipole, Da:	2.53
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-aminoethyl)phenyl]methyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN)CNC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations