Geometry & MOs

Info

ID:	223470
PubChem CID:	85335089
Reduced:	ClSN3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	2.27
IP(EA), eV:	-9.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-6-(2-cyclopropyl-1-piperazin-1-ylethyl)-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(N(C(=O)NC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations