Geometry & MOs

Info

ID:	294929
PubChem CID:	117505867
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	322.158037
ΔH_f, kcal/mol:	10.63
Dipole, Da:	3.82
IP(EA), eV:	-8.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C3=NNC(=C3)C(=O)O)C4=C1N5CCC4CC5

DOS

IR

Vibrations