Geometry & MOs

Info

ID:	261143
PubChem CID:	103219940
Reduced:	ClION2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	434.92898
ΔH_f, kcal/mol:	17.21
Dipole, Da:	3.39
IP(EA), eV:	-8.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-iodophenyl)methanamine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(C3=CC(=C(C=C3)I)Cl)N)NC1=O

DOS

IR

Vibrations