Geometry & MOs

Info

ID:	183795
PubChem CID:	77070233
Reduced:	INO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	225.12774
ΔH_f, kcal/mol:	-17.62
Dipole, Da:	3.03
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(5-fluoropyridin-2-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(=NO)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)I)OC

DOS

IR

Vibrations