Geometry & MOs

Info

ID:	55605
PubChem CID:	17395645
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	340.108402
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	2.58
IP(EA), eV:	-8.33(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations