Geometry & MOs

Info

ID:	404048
PubChem CID:	135064805
Reduced:	ClO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	468.324369
ΔH_f, kcal/mol:	-76.31
Dipole, Da:	2.45
IP(EA), eV:	-9.91(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-tert-butylcyclohexen-1-yl)-3-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C1=O)C)CCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations