Geometry & MOs

Info

ID:	182571
PubChem CID:	76908500
Reduced:	FN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	292.122321
ΔH_f, kcal/mol:	-130.89
Dipole, Da:	7.52
IP(EA), eV:	-9.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-carbamoylpyrrolidin-1-yl)methyl]-3-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CC2=CC(=C(C=C2)F)C=CC(=O)O

DOS

IR

Vibrations