Geometry & MOs

Info

ID:	286910
PubChem CID:	104223501
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	325.0226
ΔH_f, kcal/mol:	13.67
Dipole, Da:	5.15
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-bromo-4-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations