Geometry & MOs

Info

ID:	257594
PubChem CID:	103147272
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	244.102334
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	2.64
IP(EA), eV:	-10.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-methylpyridin-3-yl)-3-(2,2-difluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)CCOCC(F)F

DOS

IR

Vibrations