Geometry & MOs

Info

ID:	204775
PubChem CID:	80005676
Reduced:	ClF3N3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-148.67
Dipole, Da:	4.96
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-quinolin-5-ylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)N

DOS

IR

Vibrations