Geometry & MOs

Info

ID:	8197
PubChem CID:	75273
Reduced:	FON3C26H34 (1)
Stoich.:	ABC3D26E34 (1)
Weight, g/mol:	423.268591
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	4.96
IP(EA), eV:	-8.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-(3-methylphenyl)-4-(pyrrolidin-1-ylamino)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)NN4CCCC4

DOS

IR

Vibrations