Geometry & MOs

Info

ID:	30122
PubChem CID:	840147
Reduced:	O2N3H4C5 (2)
Stoich.:	A2B3C4D5 (2)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	75.62
Dipole, Da:	4.96
IP(EA), eV:	-9.93(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(morpholin-4-ylmethyl)cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC(=O)C2=NON=C2N)[N+](=O)[O-]

DOS

IR

Vibrations