Geometry & MOs

Info

ID:	154791
PubChem CID:	56314316
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	440.07356
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	6.67
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-(3-phenylbutylcarbamoyl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC=C1)OCC(=O)N(C)C)C2=CC=CC=C2

DOS

IR

Vibrations