Geometry & MOs

Info

ID:	143475
PubChem CID:	53214575
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	5.65
IP(EA), eV:	-8.14(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenoxy)methyl]-4-morpholin-4-ylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

COCCC1=NC(=CC(=N1)NC2=C(C=C(C=C2)OC)OC)N

DOS

IR

Vibrations