Geometry & MOs

Info

ID:	19833
PubChem CID:	573671
Reduced:	BrO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	364.06741
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	2.95
IP(EA), eV:	-9.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione

Drug info:

PubChemData

Smile

CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations