Geometry & MOs

Info

ID:	205651
PubChem CID:	80132192
Reduced:	BrNF2O2H10C11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	332.03358
ΔH_f, kcal/mol:	-142.53
Dipole, Da:	4.74
IP(EA), eV:	-9.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-(cyclopropylamino)propyl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1(CN(C1)C(=O)C2=C(C=C(C=C2F)Br)F)O

DOS

IR

Vibrations