Geometry & MOs

Info

ID:	50909
PubChem CID:	12013502
Reduced:	OH14C18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	246.104465
ΔH_f, kcal/mol:	84.49
Dipole, Da:	3.02
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(1R,2R)-2-(2-phenylethynyl)cyclopropyl]methanone

Drug info:

PubChemData

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C1[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations