Geometry & MOs

Info

ID:	343911
PubChem CID:	127267087
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	5.1
IP(EA), eV:	-8.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methoxy-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N(N=C1CC)CC2=CC(=C(C=C2)C)OC)C#N

DOS

IR

Vibrations