Geometry & MOs

Info

ID:	224431
PubChem CID:	85342814
Reduced:	O5C27H42 (1)
Stoich.:	A5B27C42 (1)
Weight, g/mol:	446.285236
ΔH_f, kcal/mol:	-255.53
Dipole, Da:	1.97
IP(EA), eV:	-8.7(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-4-methylcyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(CCC4C3CCC5(C4(C(CC(C5)O)O)C)O)C)OC16CCC(=C)CO6

DOS

IR

Vibrations