Geometry & MOs

Info

ID:	380974
PubChem CID:	134971588
Reduced:	ClION2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	446.448766
ΔH_f, kcal/mol:	53.68
Dipole, Da:	2.76
IP(EA), eV:	-8.79(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(1S,5R,6R,9R,13R,15S)-1,5,9,14,14,15-hexamethyl-6-tricyclo[11.4.0.05,9]heptadecanyl]-2-methylheptan-2-ol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)C3=CN=C(C=C3)Cl)I

DOS

IR

Vibrations