Geometry & MOs

Info

ID:	249131
PubChem CID:	103087068
Reduced:	ClF3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	4.66
IP(EA), eV:	-9.86(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methylcyclopentyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations