Geometry & MOs

Info

ID:	128345
PubChem CID:	51040746
Reduced:	OCl2N6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	272.073182
ΔH_f, kcal/mol:	11.41
Dipole, Da:	5.03
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-diamino-7-methyl-3-phenylthieno[3,4-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCC2CN3C=NC4=C3C(=O)N=C(N4)NCC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations