Geometry & MOs

Info

ID:	141965
PubChem CID:	52959547
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	490.172659
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	4.77
IP(EA), eV:	-8.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 11-methyl-6-(2-nitrobenzoyl)imino-2-oxo-7-propyl-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,8,10,12-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2C(CC3CCCC(C3N2)C)C(=N1)NC(=O)C4=CC=CC=C4OCC

DOS

IR

Vibrations