Geometry & MOs

Info

ID:	223453
PubChem CID:	85335066
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	27.83
Dipole, Da:	11.73
IP(EA), eV:	-8.82(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2C(=NC1=C3C=CC(=O)C=C3)NN=C2NC(=O)C4CCN(CC4)C

DOS

IR

Vibrations