Geometry & MOs

Info

ID:	136429
PubChem CID:	52041199
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	445.227789
ΔH_f, kcal/mol:	17.71
Dipole, Da:	1.97
IP(EA), eV:	-8.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NC(=NC=C2)NC3=CC(=C(C=C3)OC)Cl)C

DOS

IR

Vibrations