Geometry & MOs

Info

ID:	248943
PubChem CID:	103085746
Reduced:	ClSN5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	72.75
Dipole, Da:	4.41
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,2-dimethylcyclopropyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C(C)C2=CC=C(S2)Cl

DOS

IR

Vibrations