Geometry & MOs

Info

ID:	31575
PubChem CID:	855890
Reduced:	ClN4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	326.129824
ΔH_f, kcal/mol:	104.3
Dipole, Da:	6.39
IP(EA), eV:	-9.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-1-(3-chloro-4-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=NN2C3=C(C=CC(=C3)Cl)C

DOS

IR

Vibrations