Geometry & MOs

Info

ID:	249042
PubChem CID:	103086434
Reduced:	BrF3N5C11H11 (1)
Stoich.:	AB3C5D11E11 (1)
Weight, g/mol:	237.078123
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	4.59
IP(EA), eV:	-10.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=CC(=C2)C(F)(F)F)Br)NC

DOS

IR

Vibrations