Geometry & MOs

Info

ID:	311523
PubChem CID:	126593471
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	447.07062
ΔH_f, kcal/mol:	44.94
Dipole, Da:	3.75
IP(EA), eV:	-8.06(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CC(C1/C(=C(/C=N)\N)/N=C(C)N(C)C)C=C

DOS

IR

Vibrations