Geometry & MOs

Info

ID:	39805
PubChem CID:	8142386
Reduced:	ClN3H18C23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	393.207722
ΔH_f, kcal/mol:	119.24
Dipole, Da:	5.13
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-benzyl-2-N,2-N-diethyl-4-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(NC2=CC=C(C=C2)Cl)N3C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations