Geometry & MOs

Info

ID:	311498
PubChem CID:	126592967
Reduced:	BrF2O2N4H19C20 (1)
Stoich.:	AB2C2D4E19F20 (1)
Weight, g/mol:	455.04562
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	6.06
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-4-fluorophenyl)-2-[1-(3,4-difluorophenyl)piperidin-4-yl]-N-hydroxy-2-oxoethanimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)F)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations