Geometry & MOs

Info

ID:	338410
PubChem CID:	127259102
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	197.048821
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	2.73
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C=O)NC1=C(C=CC=N1)C#N

DOS

IR

Vibrations