Geometry & MOs

Info

ID:	184434
PubChem CID:	77159695
Reduced:	BrN2F3O3H18C21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-193.07
Dipole, Da:	2.95
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-(2,2-dimethylpropoxy)-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NOC(=C1NC(=O)OC(C)C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)Br

DOS

IR

Vibrations