Geometry & MOs

Info

ID:	258053
PubChem CID:	103150436
Reduced:	BrO2F3N3C11H15 (1)
Stoich.:	AB2C3D3E11F15 (1)
Weight, g/mol:	387.02553
ΔH_f, kcal/mol:	-214.57
Dipole, Da:	3.46
IP(EA), eV:	-9.15(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1Br)COC)CCOCC(F)(F)F

DOS

IR

Vibrations