Geometry & MOs

Info

ID:	257609
PubChem CID:	103147345
Reduced:	NF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	244.102334
ΔH_f, kcal/mol:	-202.95
Dipole, Da:	7.5
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopyridin-3-yl)-4-(2,2-difluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=CN=CC(=C1)C(=O)CCOCC(F)F

DOS

IR

Vibrations