Geometry & MOs

Info

ID:	218713
PubChem CID:	85089848
Reduced:	SiN2O3C29H46 (1)
Stoich.:	AB2C3D29E46 (1)
Weight, g/mol:	502.22593
ΔH_f, kcal/mol:	-178.99
Dipole, Da:	4.04
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(4-chloro-2-fluorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolidin-3-yl]piperidin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCCC(CNC(=O)NC(C)C1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations