Geometry & MOs

Info

ID:	137901
PubChem CID:	52281537
Reduced:	N3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	294.159295
ΔH_f, kcal/mol:	97.85
Dipole, Da:	4.9
IP(EA), eV:	-8.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CC[C@@H](C2=CC=CC=C21)CNC3=NC=NC4=C3C=NN4

DOS

IR

Vibrations