Geometry & MOs

Info

ID:	31576
PubChem CID:	855891
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	326.129824
ΔH_f, kcal/mol:	89.23
Dipole, Da:	8.69
IP(EA), eV:	-9.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-1-(5-chloro-2-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)C3=CC=C(C=C3)C(C)(C)C)Cl

DOS

IR

Vibrations