Geometry & MOs

Info

ID:	20564
PubChem CID:	584618
Reduced:	N2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	37.56
Dipole, Da:	3.63
IP(EA), eV:	-10.07(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-5-methyltetrazole

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations