Geometry & MOs

Info

ID:	175995
PubChem CID:	75980182
Reduced:	BrO3N5H12C14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	14.34
Dipole, Da:	6.99
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[(2-propoxypyridin-3-yl)methylamino]-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2C=N1)NCC3=CC4=C(C(=C3)Br)OCO4

DOS

IR

Vibrations