Geometry & MOs

Info

ID:	257888
PubChem CID:	103149050
Reduced:	OF2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	311.04448
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	5.11
IP(EA), eV:	-9.14(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CC(CCOCC(F)F)N

DOS

IR

Vibrations