Geometry & MOs

Info

ID:	403545
PubChem CID:	135060763
Reduced:	NO3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	260.173607
ΔH_f, kcal/mol:	-70.96
Dipole, Da:	6.55
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-5,6-bis(nitromethyl)decane

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C[N+](=O)[O-])[C@H](C[N+](=O)[O-])C2=CC=CC=C2O)O

DOS

IR

Vibrations