Geometry & MOs

Info

ID:	143857
PubChem CID:	53271029
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	263.036462
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	5.88
IP(EA), eV:	-9.96(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=NC=CN=C2C(=O)O

DOS

IR

Vibrations