Geometry & MOs

Info

ID:	249039
PubChem CID:	103086412
Reduced:	SN5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	273.104817
ΔH_f, kcal/mol:	101.01
Dipole, Da:	5.58
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-benzothiophen-5-yl)tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=CC3=C(C=C2)SC=C3

DOS

IR

Vibrations