Geometry & MOs

Info

ID:	33689
PubChem CID:	7887509
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	356.117235
ΔH_f, kcal/mol:	-189.12
Dipole, Da:	6.12
IP(EA), eV:	-8.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations