Geometry & MOs

Info

ID:	205979
PubChem CID:	80185973
Reduced:	BrNOF2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	5.32
IP(EA), eV:	-9.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methylpropyl)cyclopentyl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C(=O)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations