Geometry & MOs

Info

ID:	149978
PubChem CID:	53789661
Reduced:	O2N3F5H12C20 (1)
Stoich.:	A2B3C5D12E20 (1)
Weight, g/mol:	236.168877
ΔH_f, kcal/mol:	-257.2
Dipole, Da:	4.98
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)piperidin-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=NC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations