Geometry & MOs

Info

ID:	218390
PubChem CID:	85089267
Reduced:	O4C29H42 (1)
Stoich.:	A4B29C42 (1)
Weight, g/mol:	454.245694
ΔH_f, kcal/mol:	-213.65
Dipole, Da:	10.35
IP(EA), eV:	-9.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[3-(2-diphenylphosphorylethylidene)-4-methylcyclohexyl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CC1C2CCC3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C

DOS

IR

Vibrations