Geometry & MOs

Info

ID:	248994
PubChem CID:	103086093
Reduced:	F3N5C13H16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	6.29
IP(EA), eV:	-9.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(3-phenylbutyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations