Geometry & MOs

Info

ID:	265833
PubChem CID:	103551193
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	295.065614
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	4.26
IP(EA), eV:	-10.15(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-4,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

CC1(CC1)NC(=O)C2CCC(C2)C(=O)O

DOS

IR

Vibrations