Geometry & MOs

Info

ID:	204813
PubChem CID:	80012223
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	274.098728
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	2.93
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(2-methyl-2-methylsulfonylpropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=NC2=C(O1)C=CC(=C2)Br)CCN

DOS

IR

Vibrations