Geometry & MOs

Info

ID:	312915
PubChem CID:	126609898
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	2.55
IP(EA), eV:	-9.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethoxymethyl)-2-phenylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOCC1=NC(=NC=C1C(=O)OCC)C2=CC=CC=C2

DOS

IR

Vibrations