Geometry & MOs

Info

ID:	407259
PubChem CID:	135079681
Reduced:	NO3H8C12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	14.77
Dipole, Da:	6.0
IP(EA), eV:	-9.43(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C3=C(C4=C(C=CC(=C4)CC5=CC=CC=C5)C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations