Geometry & MOs

Info

ID:	193386
PubChem CID:	78386803
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	431.01307
ΔH_f, kcal/mol:	-6.69
Dipole, Da:	2.61
IP(EA), eV:	-8.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,7a-dihydrobenzimidazol-2-ylidene)-3-(3-ethoxy-5-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

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COC1=CC=C(C=C1)N2C3C(CCC4C3CNN4)C(N2)C(=O)NN

DOS

IR

Vibrations