Geometry & MOs

Info

ID:	311482
PubChem CID:	126592948
Reduced:	BrFO2N5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	474.10667
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	4.86
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations