Geometry & MOs

Info

ID:	256106
PubChem CID:	103137086
Reduced:	FON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-7.75
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 2-amino-4-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)N)F

DOS

IR

Vibrations