Geometry & MOs

Info

ID:	210578
PubChem CID:	80824569
Reduced:	FON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	3.78
IP(EA), eV:	-8.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-methoxy-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC2=NC(=NC=C2F)NC

DOS

IR

Vibrations