Geometry & MOs

Info

ID:	40670
PubChem CID:	8144500
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	36.79
Dipole, Da:	4.6
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol

Drug info:

PubChemData

Smile

C=CCN1C(=NN(C1=S)CN2CCOCC2)COC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations