Geometry & MOs

Info

ID:	389852
PubChem CID:	134995582
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	175.120843
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	2.98
IP(EA), eV:	-10.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethyl-5-nitropentan-2-ol

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C)C(C)(C)C[N+](=O)[O-]

DOS

IR

Vibrations