Geometry & MOs

Info

ID:	380879
PubChem CID:	134971461
Reduced:	OC45H54 (1)
Stoich.:	AB45C54 (1)
Weight, g/mol:	496.391646
ΔH_f, kcal/mol:	12.38
Dipole, Da:	2.76
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(3-hydroxy-3-methylpent-1-ynyl)-3-pentadecylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3)O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations