Geometry & MOs

Info

ID:	394621
PubChem CID:	135023300
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	318.16198
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	4.5
IP(EA), eV:	-9.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-diphenylpropan-2-yl)penta-1,4-diyn-3-yloxy]ethanol

Drug info:

PubChemData

Smile

C1CC(OC1)CC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations