Geometry & MOs

Info

ID:	204761
PubChem CID:	80004768
Reduced:	NO3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-192.64
Dipole, Da:	7.49
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(OC(=C1)C(=O)O)CNC(=O)C2=CC(=O)NC(=C2)O

DOS

IR

Vibrations