Geometry & MOs

Info

ID:	248988
PubChem CID:	103086055
Reduced:	F3N5H8C9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	285.12013
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	4.99
IP(EA), eV:	-10.36(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3,4,5-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C(=CC(=C2)F)F)F)N

DOS

IR

Vibrations