Geometry & MOs

Info

ID:	248987
PubChem CID:	103086048
Reduced:	BrO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	243.07318
ΔH_f, kcal/mol:	24.36
Dipole, Da:	7.21
IP(EA), eV:	-9.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C=CC(=C2)Br)OC)NCCOC

DOS

IR

Vibrations