Geometry & MOs

Info

ID:	397783
PubChem CID:	135030726
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-236.14
Dipole, Da:	3.34
IP(EA), eV:	-10.2(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S,6S)-2-amino-6-hydroxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](CCC[C@@H]1O)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations