Geometry & MOs

Info

ID:	47893
PubChem CID:	10535759
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.0939
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	3.98
IP(EA), eV:	-8.28(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-ynyl-1,2-dihydroacenaphthylene

Drug info:

PubChemData

Smile

CO[C@]12[C@@H]3[C@H]1C=C[C@]24C[C@@H](C[C@@H]4C3)O

DOS

IR

Vibrations