Geometry & MOs

Info

ID:	174704
PubChem CID:	75806479
Reduced:	O3N5C13H14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	411.20323
ΔH_f, kcal/mol:	2.2
Dipole, Da:	27.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.804647
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)-2-[[2-[(1-methyl-2-oxo-3H-indol-3-yl)amino]-2-oxoacetyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1=CN=CC(=NC(=O)C(=O)NCCC[N+]2=CNC=C2)C1=O

DOS

IR

Vibrations