Geometry & MOs

Info

ID:	57787
PubChem CID:	24277357
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	5.62
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations