Geometry & MOs

Info

ID:	142526
PubChem CID:	53050620
Reduced:	FSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	379.205991
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	4.49
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N(C2=O)CC3=CC(=CC=C3)OC)SCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations