Geometry & MOs

Info

ID:	182524
PubChem CID:	76900848
Reduced:	FO2N7C18H22 (1)
Stoich.:	AB2C7D18E22 (1)
Weight, g/mol:	371.186987
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	1.81
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylamino)-3-(3-fluoro-4-piperidin-1-ylanilino)-1,2,4-triazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)NC2=C(N=NC(=N2)NC3=CC(=C(C=C3)N4CCOCC4)F)C(=O)N

DOS

IR

Vibrations