Geometry & MOs

Info

ID:	160234
PubChem CID:	57309580
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	7.39
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-2-amino-2-cyclohexyl-6-methylheptane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(C2=CC=C(C=C2)N)C(=O)O

DOS

IR

Vibrations