Geometry & MOs

Info

ID:	314015
PubChem CID:	126619570
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	3.86
IP(EA), eV:	-8.87(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-3-amino-1-[3-(cycloheptylmethoxy)phenyl]propane-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(C1)COC2=CC=CC(=C2)C[C@@H](CN)N

DOS

IR

Vibrations