Geometry & MOs

Info

ID:	276143
PubChem CID:	103820878
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	324.148535
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	2.91
IP(EA), eV:	-8.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(N=CC=C2)N(C)C

DOS

IR

Vibrations