Geometry & MOs

Info

ID:	201370
PubChem CID:	79528587
Reduced:	ClNSC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	276.052637
ΔH_f, kcal/mol:	19.15
Dipole, Da:	2.96
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CSC2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations