Geometry & MOs

Info

ID:	135524
PubChem CID:	51885471
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	429.157623
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	2.93
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)-2-oxoethyl] 3-[(1S,2R,6S,7S)-8-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)NC(=O)[C@H](C)Cl

DOS

IR

Vibrations