Geometry & MOs

Info

ID:	276144
PubChem CID:	103820901
Reduced:	FN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-220.85
Dipole, Da:	7.62
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations