Geometry & MOs

Info

ID:	160358
PubChem CID:	57309706
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	478.215747
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	6.22
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-2-phenylphenyl)-5-trityltetrazole

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

DOS

IR

Vibrations