Geometry & MOs

Info

ID:	314009
PubChem CID:	126619558
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	3.21
Dipole, Da:	4.44
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis[(1Z)-buta-1,3-dienyl]-2,5-bis(ethenyl)-1H-pyrrole

Drug info:

PubChemData

Smile

C1CC(=C[C@@H]1N2CCN(CC2)C3=CC4=C(C=C3)C(=O)NC4)C5=CC6=C(C=CC=N6)C(=O)N5

DOS

IR

Vibrations