Geometry & MOs

Info

ID:	31579
PubChem CID:	855896
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	270.067224
ΔH_f, kcal/mol:	90.95
Dipole, Da:	7.36
IP(EA), eV:	-9.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-5-phenyltetrazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=NN=N2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations