Geometry & MOs

Info

ID:	137162
PubChem CID:	52163591
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	378.162267
ΔH_f, kcal/mol:	17.16
Dipole, Da:	2.97
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(N1CC=C)SCC2=NC=C(O2)C(C)(C)C)OC3=CC=CC=C3

DOS

IR

Vibrations