Geometry & MOs

Info

ID:	153586
PubChem CID:	56312841
Reduced:	FO3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	485.250141
ΔH_f, kcal/mol:	-101.68
Dipole, Da:	4.45
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations