Geometry & MOs

Info

ID:	380882
PubChem CID:	134971465
Reduced:	BrOC14H20 (2)
Stoich.:	ABC14D20 (2)
Weight, g/mol:	400.334131
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	3.04
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3-methylpent-1-ynyl)-5-pentadecylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Br)Br)O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations