Geometry & MOs

Info

ID:	37868
PubChem CID:	8025197
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	353.188998
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	3.81
IP(EA), eV:	-8.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(3-fluorophenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CC(C)C)OC

DOS

IR

Vibrations