Geometry & MOs

Info

ID:	389912
PubChem CID:	134995955
Reduced:	NF4O4C5H5 (1)
Stoich.:	AB4C4D5E5 (1)
Weight, g/mol:	261.086189
ΔH_f, kcal/mol:	-287.77
Dipole, Da:	4.11
IP(EA), eV:	-11.82(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-carbamoyl-2-[2-(cyanomethylimino)hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)([N+](=O)[O-])F

DOS

IR

Vibrations