Geometry & MOs

Info

ID:	382143
PubChem CID:	134973100
Reduced:	NO3C35H35 (1)
Stoich.:	AB3C35D35 (1)
Weight, g/mol:	284.217157
ΔH_f, kcal/mol:	3.9
Dipole, Da:	6.23
IP(EA), eV:	-8.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@](C1)(C2=CC=C/C(=C/3\C=C4C=CC=CC4=C(C3=O)C5=C(C=CC6=CC=CC=C65)O)/N2)O)C(C)C

DOS

IR

Vibrations