Geometry & MOs

Info

ID:	311481
PubChem CID:	126592947
Reduced:	BrFIO2N6H23C24 (1)
Stoich.:	ABCD2E6F23G24 (1)
Weight, g/mol:	447.07062
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	1.04
IP(EA), eV:	-8.41(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-pyridin-3-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(C=C2)NC(=O)N3CCC(CC3)C(=O)/C(=N/I)/NC4=CC(=C(C=C4)F)Br

DOS

IR

Vibrations