Geometry & MOs

Info

ID:	128685
PubChem CID:	51053972
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	344.061093
ΔH_f, kcal/mol:	-173.49
Dipole, Da:	5.54
IP(EA), eV:	-9.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=CC(=O)N(N=C2CC1)CC(=O)NCC3CCC(CC3)C(=O)O

DOS

IR

Vibrations