Geometry & MOs

Info

ID:	198255
PubChem CID:	79075436
Reduced:	ClN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	247.088768
ΔH_f, kcal/mol:	59.17
Dipole, Da:	5.78
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)CCC2=CC=CC=N2)Cl

DOS

IR

Vibrations