Geometry & MOs

Info

ID:	380291
PubChem CID:	134970699
Reduced:	N2O4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	349.191603
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	3.74
IP(EA), eV:	-9.54(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[cyclopenta-1,4-dien-1-yl-(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C(C(/C=C\2/C=CN=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations