Geometry & MOs

Info

ID:	182573
PubChem CID:	76908502
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	292.122321
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	9.38
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=CC=C2)C=CC(=O)O)C(=O)N

DOS

IR

Vibrations