Geometry & MOs

Info

ID:	216844
PubChem CID:	85086871
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	2.16
IP(EA), eV:	-8.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-6-[(3-methylphenyl)methyl]-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2C3C(C4CCCCC4=C2C5=CC=CC=C51)C(=O)NC3=O

DOS

IR

Vibrations