Geometry & MOs

Info

ID:	311501
PubChem CID:	126592970
Reduced:	BrF2O3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	512.09716
ΔH_f, kcal/mol:	-111.89
Dipole, Da:	5.06
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1(C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)F)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations