Geometry & MOs

Info

ID:	381750
PubChem CID:	134972572
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	297.24297
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	6.1
IP(EA), eV:	-9.19(0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-hydroxy-2-[(6R)-3-(1-hydroxy-2-methylheptan-2-yl)-1,6-dimethylcyclohex-2-en-1-yl]ethylidene]oxidanium

Drug info:

PubChemData

Smile

CC1CCC2=C([C@@]1(C)CC(=O)O)CCC[C@]2(C)CO

DOS

IR

Vibrations