Geometry & MOs

Info

ID:	12889
PubChem CID:	147794
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	8.98
IP(EA), eV:	-9.14(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethyl-3-nitrobutan-2-yl)-1,2-dimethylimidazole

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)C(C)(C)C(C)(C)[N+](=O)[O-]

DOS

IR

Vibrations