Geometry & MOs

Info

ID:	219566
PubChem CID:	85149233
Reduced:	O6H34C37 (1)
Stoich.:	A6B34C37 (1)
Weight, g/mol:	576.21427
ΔH_f, kcal/mol:	-151.88
Dipole, Da:	7.48
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-5-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-(3-phenylseleninylpropyl)phenol

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=CC=CC=C2C(=C1)CCC(C(COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)O

DOS

IR

Vibrations