Geometry & MOs

Info

ID:	286885
PubChem CID:	104223390
Reduced:	OBr2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	14.38
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-fluoro-5-methylphenoxy)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations