Geometry & MOs

Info

ID:	271676
PubChem CID:	103687922
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	243.102607
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	3.88
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(5-methylhexyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2CC=CC2

DOS

IR

Vibrations