Geometry & MOs

Info

ID:	223480
PubChem CID:	85335103
Reduced:	N6H20C23 (1)
Stoich.:	A6B20C23 (1)
Weight, g/mol:	386.27941
ΔH_f, kcal/mol:	149.04
Dipole, Da:	9.27
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CCC#N)C(=CC(=N2)C3=CN=CN3C)C=CC4=CN=CN=C4

DOS

IR

Vibrations