Geometry & MOs

Info

ID:	286883
PubChem CID:	104223381
Reduced:	ClON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	292.109089
ΔH_f, kcal/mol:	35.11
Dipole, Da:	4.76
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5-chloropyridin-3-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=CN=C2)Cl

DOS

IR

Vibrations