Geometry & MOs

Info

ID:	132518
PubChem CID:	51374245
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	10.29
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CC=C1)(C(=O)[O-])[NH+](C)C

DOS

IR

Vibrations