Geometry & MOs

Info

ID:	56256
PubChem CID:	17422869
Reduced:	SN7H15C17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	159.27
Dipole, Da:	3.21
IP(EA), eV:	-9.05(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)/C(=C/C2=CSC(=N2)C3=CC=CC=C3)/C#N

DOS

IR

Vibrations