Geometry & MOs

Info

ID:	270060
PubChem CID:	103624413
Reduced:	BrF2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	307.104228
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	6.86
IP(EA), eV:	-9.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methoxy-N-(1-thiophen-2-ylbutyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])F)NCC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations