Geometry & MOs

Info

ID:	66275
PubChem CID:	46501256
Reduced:	ClIN2O2H14C21 (1)
Stoich.:	ABC2D2E14F21 (1)
Weight, g/mol:	707.00027
ΔH_f, kcal/mol:	38.88
Dipole, Da:	7.18
IP(EA), eV:	-8.67(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(Z)-(3,5-diiodo-2-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N/C=C\4/C=C(C=C(C4=O)I)Cl

DOS

IR

Vibrations