Geometry & MOs

Info

ID:	27789
PubChem CID:	823583
Reduced:	BrON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	70.91
Dipole, Da:	3.54
IP(EA), eV:	-9.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations