Geometry & MOs

Info

ID:	18232
PubChem CID:	539002
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	217.095023
ΔH_f, kcal/mol:	-172.98
Dipole, Da:	4.14
IP(EA), eV:	-11.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5-methyl-2-nitrocyclohexyl) acetate

Drug info:

PubChemData

Smile

CC1CC(C(C(C1)OC(=O)C)[N+](=O)[O-])O

DOS

IR

Vibrations