Geometry & MOs

Info

ID:	31709
PubChem CID:	860839
Reduced:	ON8C11H12 (1)
Stoich.:	AB8C11D12 (1)
Weight, g/mol:	308.138559
ΔH_f, kcal/mol:	137.6
Dipole, Da:	2.98
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-(5-pyridin-3-yltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(N=N2)CCC3=NNN=N3

DOS

IR

Vibrations