Geometry & MOs

Info

ID:	26121
PubChem CID:	639030
Reduced:	O2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	139.098371
ΔH_f, kcal/mol:	-172.57
Dipole, Da:	5.5
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,4-dimethyl-5-prop-2-enyltetrazol-1-ium

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C2C(=C1)C(=O)C[C@H]3[C@]2(CCCC3(C)C)C)OC

DOS

IR

Vibrations