Geometry & MOs

Info

ID:	257889
PubChem CID:	103149066
Reduced:	BrOF2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	325.06013
ΔH_f, kcal/mol:	-116.89
Dipole, Da:	3.5
IP(EA), eV:	-9.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-propylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(CCOCC(F)F)N

DOS

IR

Vibrations