Geometry & MOs

Info

ID:	293450
PubChem CID:	117389611
Reduced:	ClFN2O2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	254.034586
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	2.43
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C2=NNC(=C2)C(=O)O)F

DOS

IR

Vibrations