Geometry & MOs

Info

ID:	222031
PubChem CID:	85293524
Reduced:	O3H26C34 (1)
Stoich.:	A3B26C34 (1)
Weight, g/mol:	482.321622
ΔH_f, kcal/mol:	13.86
Dipole, Da:	2.5
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[2-but-3-ynyl-1-[2-(2,6-dimethoxy-4-methylphenyl)ethynyl]-3,3-dimethylcyclohexyl]methoxy]-dimethylsilane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(C3C4=C(C2O3)C=C5C=CC6=C7C5=C4C=CC7=CC=C6)OCC8=CC=CC=C8

DOS

IR

Vibrations