Geometry & MOs

Info

ID:	311486
PubChem CID:	126592955
Reduced:	BrFIO2N4C21H21 (1)
Stoich.:	ABCD2E4F21G21 (1)
Weight, g/mol:	515.09683
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	5.43
IP(EA), eV:	-9.26(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[(3-cyano-4-methoxyphenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations