Geometry & MOs

Info

ID:	57338
PubChem CID:	22395687
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	214.074228
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	3.11
IP(EA), eV:	-9.4(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylpyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCCC1=O.CO

DOS

IR

Vibrations