Geometry & MOs

Info

ID:	311502
PubChem CID:	126592971
Reduced:	BrFO2N6H22C23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	528.09208
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	3.54
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations