Geometry & MOs

Info

ID:	249022
PubChem CID:	103086292
Reduced:	BrSN5C8H10 (1)
Stoich.:	ABC5D8E10 (1)
Weight, g/mol:	251.210996
ΔH_f, kcal/mol:	102.43
Dipole, Da:	5.66
IP(EA), eV:	-9.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4,4-dimethylcyclohexyl)tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2=CC(=CS2)Br)N

DOS

IR

Vibrations