Geometry & MOs

Info

ID:	40460
PubChem CID:	8144167
Reduced:	N3O3C23H28 (1)
Stoich.:	A3B3C23D28 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	18.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.935625
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1-[[butyl(methyl)amino]methyl]-2-oxoindol-3-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

CCCC[NH+](C)CN1C2=CC=CC=C2C(=NC3=CC=C(C=C3)C(=O)OCC)C1=O

DOS

IR

Vibrations