Geometry & MOs

Info

ID:	249021
PubChem CID:	103086288
Reduced:	BrSN5C9H12 (1)
Stoich.:	ABC5D9E12 (1)
Weight, g/mol:	286.98403
ΔH_f, kcal/mol:	107.44
Dipole, Da:	6.05
IP(EA), eV:	-9.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2=CC=C(S2)Br)NC

DOS

IR

Vibrations