Geometry & MOs

Info

ID:	248703
PubChem CID:	103083760
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	11.34
Dipole, Da:	4.83
IP(EA), eV:	-9.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CC(=N2)NC)COC

DOS

IR

Vibrations