Geometry & MOs

Info

ID:	24638
PubChem CID:	611573
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	4.85
IP(EA), eV:	-9.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitro-1-phenylprop-2-enyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C=C(C(C1CCCCC1=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations