Geometry & MOs

Info

ID:	82356
PubChem CID:	49855931
Reduced:	BrCl2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	2.38
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1aS,3aS,5R,7aS)-2,2,5-trimethyl-3,3a,4,5-tetrahydro-1aH-indeno[1,7a-b]oxirene-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)Br)Cl

DOS

IR

Vibrations