Geometry & MOs

Info

ID:	286906
PubChem CID:	104223471
Reduced:	FON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	4.89
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations