Geometry & MOs

Info

ID:	173232
PubChem CID:	75611619
Reduced:	IO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	521.07866
ΔH_f, kcal/mol:	12.27
Dipole, Da:	5.85
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CNC3=CC=CC=C3I

DOS

IR

Vibrations