Geometry & MOs

Info

ID:	217961
PubChem CID:	85088659
Reduced:	NSi2O4C20H41 (1)
Stoich.:	AB2C4D20E41 (1)
Weight, g/mol:	419.152431
ΔH_f, kcal/mol:	-305.4
Dipole, Da:	2.45
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(NC1=O)CO[Si](C)(C)C(C)(C)C)C(=O)CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations