Geometry & MOs

Info

ID:	34973
PubChem CID:	7979152
Reduced:	BrFN2O3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-98.4
Dipole, Da:	3.24
IP(EA), eV:	-9.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyanoanilino)-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations