Geometry & MOs

Info

ID:	258048
PubChem CID:	103150375
Reduced:	BrOF2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	399.06192
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	2.62
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1Br)C)CCOCC(F)F

DOS

IR

Vibrations