Geometry & MOs

Info

ID:	413384
PubChem CID:	135086333
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	380.13509
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	3.46
IP(EA), eV:	-9.72(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC34CCCN3C(=O)C2(C1)OO4

DOS

IR

Vibrations