Geometry & MOs

Info

ID:	17018
PubChem CID:	482256
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	24.24
Dipole, Da:	7.33
IP(EA), eV:	-10.58(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCN1C(=NN=N1)C2=NC=CN=C2

DOS

IR

Vibrations