Geometry & MOs

Info

ID:	378372
PubChem CID:	134224451
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	541.316524
ΔH_f, kcal/mol:	36.7
Dipole, Da:	2.18
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexyl]-4-methyl-2-(methylamino)pentanamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(CCN)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

DOS

IR

Vibrations