Geometry & MOs

Info

ID:	175627
PubChem CID:	75929463
Reduced:	FO3N5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	481.29788
ΔH_f, kcal/mol:	-100.51
Dipole, Da:	3.28
IP(EA), eV:	-8.37(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluorophenyl]ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations