Geometry & MOs

Info

ID:	248878
PubChem CID:	103085176
Reduced:	ClFON5C12H15 (1)
Stoich.:	ABCD5E12F15 (1)
Weight, g/mol:	349.01499
ΔH_f, kcal/mol:	4.31
Dipole, Da:	8.08
IP(EA), eV:	-9.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-bromo-2-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations