Geometry & MOs

Info

ID:	132664
PubChem CID:	51395532
Reduced:	N2C15H19 (1)
Stoich.:	A2B15C19 (1)
Weight, g/mol:	350.150467
ΔH_f, kcal/mol:	69.29
Dipole, Da:	12.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762934
Charge, e:	1

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl]-[(E)-[2-(4-methylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]azanium

Drug info:

PubChemData

Smile

C1C[NH+](CCC1CC2=CC=CC=C2)/C=C/C#N

DOS

IR

Vibrations