Geometry & MOs

Info

ID:	281563
PubChem CID:	103914048
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	4.39
IP(EA), eV:	-9.61(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCN1C=CC=N1

DOS

IR

Vibrations