Geometry & MOs

Info

ID:	156792
PubChem CID:	56385642
Reduced:	FSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	441.191323
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCCC(=O)NNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F

DOS

IR

Vibrations