Geometry & MOs

Info

ID:	127302
PubChem CID:	50997541
Reduced:	N5O6C25H27 (1)
Stoich.:	A5B6C25D27 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-167.66
Dipole, Da:	7.49
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-oxo-1-pentan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC(=CC=C2)N3CCO[C@@H](C3=O)[C@H](C(=O)NC4=CC5=C(C=C4)C(=NC5)N)O

DOS

IR

Vibrations