Geometry & MOs

Info

ID:	8035
PubChem CID:	74783
Reduced:	N5O5H21C37 (1)
Stoich.:	A5B5C21D37 (1)
Weight, g/mol:	615.154269
ΔH_f, kcal/mol:	27.96
Dipole, Da:	3.01
IP(EA), eV:	-9.25(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(9,10-dioxoanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC6=CC=CC7=C6C(=O)C8=CC=CC=C8C7=O

DOS

IR

Vibrations