Geometry & MOs

Info

ID:	223454
PubChem CID:	85335067
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	20.19
Dipole, Da:	1.68
IP(EA), eV:	-8.9(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1NC2C(CNN2)C(=O)N1CCC3=CC=CC=C3)N4CCNCC4

DOS

IR

Vibrations