Geometry & MOs

Info

ID:	391280
PubChem CID:	135004085
Reduced:	NSiO5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-163.37
Dipole, Da:	4.14
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-4-nitro-5-oxo-5-phenylpent-1-enyl]cyclohexen-1-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=CC=C1C(C=C)C(C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations