Geometry & MOs

Info

ID:	381293
PubChem CID:	134971980
Reduced:	FeOH18C20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	466.19027
ΔH_f, kcal/mol:	135.17
Dipole, Da:	19.57
IP(EA), eV:	-6.18(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-[tert-butyl(dimethyl)silyl]oxyhept-2-yn-4-one

Drug info:

PubChemData

Smile

CC(C#CC1=C[CH]C=C1)(C2=CC=CC=C2)O.C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations