Geometry & MOs

Info

ID:	66281
PubChem CID:	46501272
Reduced:	Cl2O3N8H18C20 (1)
Stoich.:	A2B3C8D18E20 (1)
Weight, g/mol:	454.126864
ΔH_f, kcal/mol:	75.76
Dipole, Da:	5.81
IP(EA), eV:	-9.4(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=C(C=C(C=C3)Cl)Cl)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations