Geometry & MOs

Info

ID:	385190
PubChem CID:	134978485
Reduced:	Br2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	334.232807
ΔH_f, kcal/mol:	8.41
Dipole, Da:	3.86
IP(EA), eV:	-9.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-propan-2-ylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COCC=C=CCOCC2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations