Geometry & MOs

Info

ID:	328277
PubChem CID:	126700507
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	213.15175
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	8.58
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-ethyl-8-methyl-2-bicyclo[4.2.0]octa-2,4-dienyl)-1H-pyrrole

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)O[C@H](C4CC4)C(=O)N)N=C2C5=CC6=C(C=C5)OC(=N6)N

DOS

IR

Vibrations