Geometry & MOs

Info

ID:	367876
PubChem CID:	127326017
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	10.71
IP(EA), eV:	-8.55(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[4-(4-methylcyclohexyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)N=C(N1)C2=CN=C(C=C2)N3CCN(CC3)C4CCC(CC4)C

DOS

IR

Vibrations