Geometry & MOs

Info

ID:	175106
PubChem CID:	75856326
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	6.73
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[benzyl(methyl)amino]propylamino]-1-methyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NNC2=O)C(=O)OCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations