Geometry & MOs

Info

ID:	189682
PubChem CID:	77889104
Reduced:	PN6O10C28H45 (1)
Stoich.:	AB6C10D28E45 (1)
Weight, g/mol:	232.041882
ΔH_f, kcal/mol:	-477.35
Dipole, Da:	3.95
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(thiophen-2-ylmethyl)-3a,5-dihydropyrazolo[3,4-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1C(OC(C1(C)O)C2=CC=C3N2N=CN=C3N)COP(=O)(NC(C)C(=O)OC(C)C)NC(C)C(=O)OC(C)C

DOS

IR

Vibrations