Geometry & MOs

Info

ID:	311440
PubChem CID:	126592894
Reduced:	BrFO4N5C21H23 (1)
Stoich.:	ABC4D5E21F23 (1)
Weight, g/mol:	532.12338
ΔH_f, kcal/mol:	-135.04
Dipole, Da:	4.33
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[6-[(1-aminocyclopropyl)methoxy]pyridin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations