Geometry & MOs

Info

ID:	197494
PubChem CID:	78970821
Reduced:	ClFNOC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	4.07
IP(EA), eV:	-9.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-(prop-2-enoxycarbonylamino)benzoic acid

Drug info:

PubChemData

Smile

CCCN(CC#C)C(=O)C1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations