Geometry & MOs

Info

ID:	446987
PubChem CID:	135279318
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	1.28
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[6-[2-(methylamino)ethoxy]pyridin-3-yl]oxybutan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(CF)O)N(N=C2)C4CCCCO4

DOS

IR

Vibrations