Geometry & MOs

Info

ID:	197450
PubChem CID:	78966857
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	307.108959
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	5.15
IP(EA), eV:	-9.44(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-ethoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)(C)C

DOS

IR

Vibrations