Geometry & MOs

Info

ID:	302988
PubChem CID:	124489070
Reduced:	NOC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	2.32
IP(EA), eV:	-9.51(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[(1S,3R)-3-methoxycyclohexyl]ethanol

Drug info:

PubChemData

Smile

CC#CC[C@H](CO)N

DOS

IR

Vibrations