Geometry & MOs

Info

ID:	283599
PubChem CID:	103992188
Reduced:	BrClON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	3.79
IP(EA), eV:	-10.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-ethylfuran-2-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#N)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations