Geometry & MOs

Info

ID:	143856
PubChem CID:	53270869
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	7.65
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-ylmethylcarbamoyl)pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(=C(C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations