Geometry & MOs

Info

ID:	379861
PubChem CID:	134958983
Reduced:	NO5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	356.075684
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	2.66
IP(EA), eV:	-9.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitroanilino)-4-(2-nitrophenyl)azaniumylidene-3-oxocyclobutan-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)[C@@H]2[C@H]([C@H](C[C@@]2(C#N)C(=O)OCC3=CC=CC=C3)C=C)C=O

DOS

IR

Vibrations