Geometry & MOs

Info

ID:	339153
PubChem CID:	127260532
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	824.390434
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	9.52
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyloxy-7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC(CCCOC(=O)C1=CC=CC=C1)OC2=CC(=C(C=C2)C#N)C#N

DOS

IR

Vibrations