Geometry & MOs

Info

ID:	386003
PubChem CID:	134980503
Reduced:	H22C25 (1)
Stoich.:	A22B25 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	100.83
Dipole, Da:	0.64
IP(EA), eV:	-9.11(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aS,7aR)-3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate

Drug info:

PubChemData

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C[C@@]12[C@@H]([C@@]1([C@H](C3=CC=CC=C23)C=C)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations