Geometry & MOs

Info

ID:	380027
PubChem CID:	134964501
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	1.65
IP(EA), eV:	-9.31(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-3-phenyl-1,2,4,5,6,7-hexahydroindene

Drug info:

PubChemData

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CC1=CC(=C(C(=C1)[C@@H](C#C)OC)OC)[C@@H](C#C)OC

DOS

IR

Vibrations