Geometry & MOs

Info

ID:	286895
PubChem CID:	104223422
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	6.11
Dipole, Da:	3.47
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2-methylphenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=NC=C(C=N2)CNCC(C)C

DOS

IR

Vibrations