Geometry & MOs

Info

ID:	260992
PubChem CID:	103213196
Reduced:	ClION2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	404.95634
ΔH_f, kcal/mol:	25.91
Dipole, Da:	1.56
IP(EA), eV:	-9.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(3-chloro-4-iodophenyl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine

Drug info:

PubChemData

Smile

CNCCC1=NC=C(O1)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations