Geometry & MOs

Info

ID:	18652
PubChem CID:	545290
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	5.63
IP(EA), eV:	-10.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(1-nitropropan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C[N+](=O)[O-])C1CC(CCC1=O)C(C)(C)C

DOS

IR

Vibrations