Geometry & MOs

Info

ID:	406796
PubChem CID:	135078664
Reduced:	ON2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	452.350584
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783166
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(1R,2S,3R)-2-ethenyl-3-methyl-3-triethylsilyloxycyclopentyl]hex-5-en-2-yl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CCC/C=[N+]\1/CCC(=O)N1

DOS

IR

Vibrations