Geometry & MOs

Info

ID:	248983
PubChem CID:	103086038
Reduced:	ClFON5C12H15 (1)
Stoich.:	ABCD5E12F15 (1)
Weight, g/mol:	283.100001
ΔH_f, kcal/mol:	3.52
Dipole, Da:	7.36
IP(EA), eV:	-9.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C=C(C=C2)Cl)F)NCCOC

DOS

IR

Vibrations