Geometry & MOs

Info

ID:	249079
PubChem CID:	103086686
Reduced:	BrN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	265.15143
ΔH_f, kcal/mol:	65.29
Dipole, Da:	6.42
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=CC=CC(=C2Br)C

DOS

IR

Vibrations