Geometry & MOs

Info

ID:	387235
PubChem CID:	134984519
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	219.102607
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	1.92
IP(EA), eV:	-10.44(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R)-1-chloro-5-methyl-1-nitro-2-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(C(=O)NC1=O)N=O)C(=O)O

DOS

IR

Vibrations