Geometry & MOs

Info

ID:	383984
PubChem CID:	134976117
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	203.115758
ΔH_f, kcal/mol:	-133.19
Dipole, Da:	2.21
IP(EA), eV:	-8.71(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-cyclohexyl-2-nitropropane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@H]1CCCCN1C

DOS

IR

Vibrations