Geometry & MOs

Info

ID:	249055
PubChem CID:	103086526
Reduced:	FIN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	347.00432
ΔH_f, kcal/mol:	57.54
Dipole, Da:	4.78
IP(EA), eV:	-9.43(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations