Geometry & MOs

Info

ID:	144159
PubChem CID:	53324000
Reduced:	ON3H25C28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	68.4
Dipole, Da:	5.01
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-3-methylidene-5-[(1S,6S)-2,2,6-trimethylcyclohexyl]pentyl]-5-methylbenzene-1,3-diol

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations