Geometry & MOs

Info

ID:	413385
PubChem CID:	135086334
Reduced:	BrO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	408.16639
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	1.05
IP(EA), eV:	-9.35(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-bromo-2-cyclohexyl-6-(4-phenylmethoxybutyl)oxane

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCOCC3=CC=CC=C3)Br

DOS

IR

Vibrations