Geometry & MOs

Info

ID:	257884
PubChem CID:	103149000
Reduced:	NO2F3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	341.05505
ΔH_f, kcal/mol:	-209.96
Dipole, Da:	3.61
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(2-methoxyethyl)pyrazol-3-yl]-3-(2,2-difluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C(CCOCC(F)F)N

DOS

IR

Vibrations