Geometry & MOs

Info

ID:	228518
PubChem CID:	87565168
Reduced:	ON2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	418.324709
ΔH_f, kcal/mol:	-73.19
Dipole, Da:	3.79
IP(EA), eV:	-9.44(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(N1)(C)C)C

DOS

IR

Vibrations