Geometry & MOs

Info

ID:	244821
PubChem CID:	99428673
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	400.258674
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	1.74
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)NC(=O)NCC3=CC=NC=C3)OCC

DOS

IR

Vibrations