Geometry & MOs

Info

ID:	248949
PubChem CID:	103085803
Reduced:	FN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	277.170274
ΔH_f, kcal/mol:	39.64
Dipole, Da:	6.39
IP(EA), eV:	-9.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)F)N2C(=NN=N2)C(C)NC

DOS

IR

Vibrations