Geometry & MOs

Info

ID:	213019
PubChem CID:	81062517
Reduced:	BrClON3C10H15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	247.088768
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	3.71
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=NC(=NC=C1Br)Cl

DOS

IR

Vibrations