Geometry & MOs

Info

ID:	31577
PubChem CID:	855894
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	259.052781
ΔH_f, kcal/mol:	90.05
Dipole, Da:	6.51
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-2-(tetrazol-1-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations