Geometry & MOs

Info

ID:	263672
PubChem CID:	103388346
Reduced:	OF2N2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	226.111756
ΔH_f, kcal/mol:	-135.09
Dipole, Da:	4.34
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-aminopropan-2-ylamino)-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(CN)NC1=CC(=CC=C1)OC(F)F

DOS

IR

Vibrations