Geometry & MOs

Info

ID:	444595
PubChem CID:	135262980
Reduced:	BrNOH14C22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	65.81
Dipole, Da:	3.38
IP(EA), eV:	-7.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-4H-1,3-benzodioxin-7-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)C4=CC=CC5=C4C(=CC=C5)Br

DOS

IR

Vibrations