Geometry & MOs

Info

ID:	408621
PubChem CID:	135081389
Reduced:	Cl2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	316.172456
ΔH_f, kcal/mol:	-77.78
Dipole, Da:	3.49
IP(EA), eV:	-8.03(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-1,3,4-tritert-butyl-6,6-dichlorobicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

COC1=C2CC3C(C34C5(C4(Cl)Cl)C6C5CC7=C(C=CC(=C7C6)OC)OC)CC2=C(C=C1)OC

DOS

IR

Vibrations