Geometry & MOs

Info

ID:	199868
PubChem CID:	79310556
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	274.081438
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	2.36
IP(EA), eV:	-8.55(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(pyrazine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCNCC2CC3=CC=CC=C3

DOS

IR

Vibrations