Geometry & MOs

Info

ID:	307650
PubChem CID:	125307920
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	127.08
Dipole, Da:	4.01
IP(EA), eV:	-8.64(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7aS)-3,4-dimethyl-2-phenyl-3,7a-dihydro-1H-pyrazolo[3,4-d]pyridazine-7-thione

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(N=NC(=S)[C@@H]2NN1C3=CC=CC=C3)C

DOS

IR

Vibrations