Geometry & MOs

Info

ID:	183798
PubChem CID:	77070906
Reduced:	OF2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	0.82
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-cyclopropylethylcarbamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1(CC(=NO)N)CNC2=C(C=CC=C2F)F

DOS

IR

Vibrations