Geometry & MOs

Info

ID:	52270
PubChem CID:	12015082
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	5.82
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-1-(3-oxo-3-phenylpropyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations