Geometry & MOs

Info

ID:	412042
PubChem CID:	135084905
Reduced:	IrC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	136.73
Dipole, Da:	5.42
IP(EA), eV:	-9.19(-5.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyclopropylethynyl)phenyl]methanol

Drug info:

PubChemData

Smile

[CH3-].C1CC=CCCC=C1.[Ir]

DOS

IR

Vibrations