Geometry & MOs

Info

ID:	36475
PubChem CID:	8007245
Reduced:	OSF3N3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	332.138559
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	9.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853543
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

C[NH+](CC1=CSC(=N1)C2=CC=CC=C2)CC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations