Geometry & MOs

Info

ID:	200441
PubChem CID:	79389792
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-133.47
Dipole, Da:	10.05
IP(EA), eV:	-8.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations