Geometry & MOs

Info

ID:	286865
PubChem CID:	104223301
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	19.41
Dipole, Da:	4.77
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2=NC=C(C=N2)CNC(C)C

DOS

IR

Vibrations