Geometry & MOs

Info

ID:	249033
PubChem CID:	103086372
Reduced:	BrF3N5C11H11 (1)
Stoich.:	AB3C5D11E11 (1)
Weight, g/mol:	267.20591
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	7.44
IP(EA), eV:	-10.15(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations