Geometry & MOs

Info

ID:	173246
PubChem CID:	75611633
Reduced:	IN3O5H26C31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	498.07635
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	4.83
IP(EA), eV:	-8.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-bromophenyl)-6-morpholin-4-yl-2-N-[(2-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4I

DOS

IR

Vibrations