Geometry & MOs

Info

ID:	289174
PubChem CID:	104338620
Reduced:	BrON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	10.35
Dipole, Da:	2.06
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NC2=CC=CC=C2Br)N

DOS

IR

Vibrations