Geometry & MOs

Info

ID:	261158
PubChem CID:	103220510
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	404.9548
ΔH_f, kcal/mol:	25.54
Dipole, Da:	6.28
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methanamine

Drug info:

PubChemData

Smile

C1CC(C1)NC2=CC(=O)N(N=C2)CCC3=CC=CC=N3

DOS

IR

Vibrations