Geometry & MOs

Info

ID:	231971
PubChem CID:	87575033
Reduced:	SeCl2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	298.178024
ΔH_f, kcal/mol:	34.06
Dipole, Da:	4.26
IP(EA), eV:	-9.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;3,4-dimethyl-3-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C([Se]2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl

DOS

IR

Vibrations