Geometry & MOs

Info

ID:	25645
PubChem CID:	627752
Reduced:	NH15C23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	128.64
Dipole, Da:	4.46
IP(EA), eV:	-8.47(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations