Geometry & MOs

Info

ID:	303753
PubChem CID:	124490134
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	4.23
IP(EA), eV:	-8.45(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(4-methoxyphenyl)-[(1R,2R)-2-(methylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CN[C@@H]1CCCC[C@@H]1[C@@H](C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations