Geometry & MOs

Info

ID:	379977
PubChem CID:	134964419
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	228.0939
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	3.1
IP(EA), eV:	-9.66(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethynyl-1,9-dihydropyrene

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]3C=CC[C@@H]3[C@H]1C(C(=O)C2)(C)C

DOS

IR

Vibrations