Geometry & MOs

Info

ID:	216360
PubChem CID:	85086094
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	1.5
IP(EA), eV:	-9.41(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadeca-1,9,16-trien-4,6-diyne-3,11-diol

Drug info:

PubChemData

Smile

CC1(C2CC3CC(O1)CC(C3)(C2)C4=CC=CC=C4)O

DOS

IR

Vibrations