Geometry & MOs

Info

ID:	172930
PubChem CID:	75573885
Reduced:	NO3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	452.91467
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	11.57
IP(EA), eV:	-8.93(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3-dibromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzimidazol-2-one

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C

DOS

IR

Vibrations