Geometry & MOs

Info

ID:	270423
PubChem CID:	103636505
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	3.17
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCOCC(=O)NC1=C(C(=CC=C1)Br)COC

DOS

IR

Vibrations