Geometry & MOs

Info

ID:	137606
PubChem CID:	52233403
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	230.091609
ΔH_f, kcal/mol:	-152.82
Dipole, Da:	3.41
IP(EA), eV:	-8.55(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCN1CCC[C@@](C1)(CN2CCN(CC2)C(=O)[C@@H]3CCCO3)O

DOS

IR

Vibrations