Geometry & MOs

Info

ID:	182907
PubChem CID:	76953617
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	11.84
Dipole, Da:	2.27
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-6-methyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1C(C(NN1)N)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations