Geometry & MOs

Info

ID:	158754
PubChem CID:	56468319
Reduced:	BrFO2N5H19C20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	471.03423
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	5.35
IP(EA), eV:	-9.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenoxy)methyl]-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3(CCOCC3)C4=CC=C(C=C4)Br)F

DOS

IR

Vibrations