Geometry & MOs

Info

ID:	211372
PubChem CID:	80940219
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	283.068781
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	4.09
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)NCC)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations