Geometry & MOs

Info

ID:	248924
PubChem CID:	103085562
Reduced:	SO3N5C11H21 (1)
Stoich.:	AB3C5D11E21 (1)
Weight, g/mol:	287.210996
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	3.64
IP(EA), eV:	-9.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2CCS(=O)(=O)C2)NCCOC

DOS

IR

Vibrations