Geometry & MOs

Info

ID:	66280
PubChem CID:	46501271
Reduced:	ON2C5H5 (4)
Stoich.:	AB2C5D5 (4)
Weight, g/mol:	488.087892
ΔH_f, kcal/mol:	59.22
Dipole, Da:	3.59
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NNC=C3C=CC(=O)C=C3)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations