Geometry & MOs

Info

ID:	249020
PubChem CID:	103086281
Reduced:	ClSN5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	300.99968
ΔH_f, kcal/mol:	80.76
Dipole, Da:	6.16
IP(EA), eV:	-9.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-bromothiophen-2-yl)methyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2=CC=C(S2)Cl

DOS

IR

Vibrations