Geometry & MOs

Info

ID:	257999
PubChem CID:	103149823
Reduced:	BrNOF3C15H21 (1)
Stoich.:	ABCD3E15F21 (1)
Weight, g/mol:	272.17002
ΔH_f, kcal/mol:	-191.48
Dipole, Da:	5.42
IP(EA), eV:	-9.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylbutan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)F)CC1=C(C(=CC=C1)F)Br

DOS

IR

Vibrations