Geometry & MOs

Info

ID:	397019
PubChem CID:	135029607
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	292.128342
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	2.16
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C(=O)C4=CC=CC=C4N=C3C2(C5CCCCC5)O

DOS

IR

Vibrations