Geometry & MOs

Info

ID:	376427
PubChem CID:	134222440
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	514.244087
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	1.8
IP(EA), eV:	-9.21(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-5-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-5-oxopentanamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)OCC1=CC=CC=C1

DOS

IR

Vibrations