Geometry & MOs

Info

ID:	143894
PubChem CID:	53276628
Reduced:	N2O3H22C27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	6.44
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations