Geometry & MOs

Info

ID:	169849
PubChem CID:	75157081
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	8.46
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-ethylphenyl)-methylcarbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=O)C2=CC(=CC=C2)NC(=O)C3C4CC5C3C(=O)OC5C4

DOS

IR

Vibrations