Geometry & MOs

Info

ID:	27437
PubChem CID:	821325
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	-112.77
Dipole, Da:	1.98
IP(EA), eV:	-9.66(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-1-(4-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@]([C@H]1[C@H]3[C@@H](C3(C)C)CC[C@@H]2O)(C)O

DOS

IR

Vibrations