Geometry & MOs

Info

ID:	298139
PubChem CID:	117647694
Reduced:	IN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	25.7
Dipole, Da:	1.79
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-(4-amino-3-fluorophenyl)pyridin-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CNCCC1=CC(=CC(=C1)I)CCNC

DOS

IR

Vibrations