Geometry & MOs

Info

ID:	223638
PubChem CID:	85335347
Reduced:	S2N3O6C20H25 (1)
Stoich.:	A2B3C6D20E25 (1)
Weight, g/mol:	473.290309
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	7.35
IP(EA), eV:	-8.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propyl]-5-benzyl-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CSC(C3=O)S(=O)(=O)N(C)C

DOS

IR

Vibrations