Geometry & MOs

Info

ID:	130075
PubChem CID:	51074845
Reduced:	ClON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	21.19
Dipole, Da:	3.02
IP(EA), eV:	-9.52(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)C2=NC=NC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations