Geometry & MOs

Info

ID:	271154
PubChem CID:	103645634
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	310.132885
ΔH_f, kcal/mol:	-114.31
Dipole, Da:	2.8
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NC2CCOC3=CC=CC=C23

DOS

IR

Vibrations