Geometry & MOs

Info

ID:	311497
PubChem CID:	126592966
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	464.06594
ΔH_f, kcal/mol:	70.39
Dipole, Da:	2.48
IP(EA), eV:	-8.26(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-4-fluoro-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N=C/C(=C\N)/C2=CC=C(C=C2)N

DOS

IR

Vibrations