Geometry & MOs

Info

ID:	257986
PubChem CID:	103149645
Reduced:	NOCl2F2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	245.133969
ΔH_f, kcal/mol:	-148.31
Dipole, Da:	3.49
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-N-ethyl-1-pyrimidin-5-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)F)C1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations