Geometry & MOs

Info

ID:	43063
PubChem CID:	10318267
Reduced:	ClO2N4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	390.151034
ΔH_f, kcal/mol:	23.75
Dipole, Da:	4.9
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-fluorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations