Geometry & MOs

Info

ID:	281517
PubChem CID:	103913982
Reduced:	FON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	4.56
IP(EA), eV:	-9.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C(C=CC(=C1)C#N)F

DOS

IR

Vibrations