Geometry & MOs

Info

ID:	205671
PubChem CID:	80132625
Reduced:	BrF2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	292.9863
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	3.31
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,6-difluoro-N-(2-hydroxypropyl)benzamide

Drug info:

PubChemData

Smile

CCCC1=C(N(N=C1C2=C(C=C(C=C2F)Br)F)C)N

DOS

IR

Vibrations