Geometry & MOs

Info

ID:	257961
PubChem CID:	103149346
Reduced:	BrOF2N2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	322.04923
ΔH_f, kcal/mol:	-119.94
Dipole, Da:	5.66
IP(EA), eV:	-9.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)F)CC1=CC(=CN=C1)Br

DOS

IR

Vibrations