Geometry & MOs

Info

ID:	291502
PubChem CID:	112886479
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	2.62
IP(EA), eV:	-8.29(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC2=NC=CC(=N2)N3CCOCC3

DOS

IR

Vibrations