Geometry & MOs

Info

ID:	342069
PubChem CID:	127264782
Reduced:	SN4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	344.02727
ΔH_f, kcal/mol:	128.83
Dipole, Da:	4.33
IP(EA), eV:	-9.02(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-bromo-4-methylphenyl)ethenyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC(=CS2)C=CC3=NC=NC=C3

DOS

IR

Vibrations