Geometry & MOs

Info

ID:	288006
PubChem CID:	104307105
Reduced:	N2Cl3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	253.044046
ΔH_f, kcal/mol:	17.33
Dipole, Da:	3.12
IP(EA), eV:	-8.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloropropyl)phenyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=C(C=C(C=N2)Cl)Cl)CCCCl

DOS

IR

Vibrations