Geometry & MOs

Info

ID:	150366
PubChem CID:	53790055
Reduced:	ClBr2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	489.97328
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	3.82
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1COC(=O)C2C(C2(C)C)C=C(Br)Br)C)CC=CCl

DOS

IR

Vibrations