Geometry & MOs

Info

ID:	399640
PubChem CID:	135041404
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	246.104465
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	4.24
IP(EA), eV:	-9.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-ethynylphenyl)ethynyl]phenyl]ethanol

Drug info:

PubChemData

Smile

C1COC(OC1)C[C@@H](C[C@@H](C2=CC=CC=C2)O)O

DOS

IR

Vibrations