Geometry & MOs

Info

ID:	270012
PubChem CID:	103622170
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	269.027728
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	4.26
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-thiophen-2-ylpropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCOC)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations