Geometry & MOs

Info

ID:	222346
PubChem CID:	85297102
Reduced:	NCl2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	396.05724
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	6.68
IP(EA), eV:	-9.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-bromo-4'-(4-methoxyphenyl)spiro[1,3-dioxolane-2,9'-3,5-dioxatricyclo[5.2.2.02,6]undecane]

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)OC(=O)C2=C(C(=C(C=C2)Cl)C=NOCC#C)Cl)C

DOS

IR

Vibrations