Geometry & MOs

Info

ID:	402842
PubChem CID:	135057464
Reduced:	NPO5C15H24 (1)
Stoich.:	ABC5D15E24 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-265.67
Dipole, Da:	5.84
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-4-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate

Drug info:

PubChemData

Smile

CCOP(=O)(/C=C/C1=CC=CN1C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations