Geometry & MOs

Info

ID:	31751
PubChem CID:	3711373
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	356.04986
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	5.77
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1CCC2=CC=CC=C2)C)C(=O)N)C3=NC4=C(C=CC=C4O)C=C3

DOS

IR

Vibrations