Geometry & MOs

Info

ID:	197741
PubChem CID:	78990670
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	271.154544
ΔH_f, kcal/mol:	52.98
Dipole, Da:	7.72
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN(CC#C)C(=O)CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations