Geometry & MOs

Info

ID:	285251
PubChem CID:	104098810
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	208.168797
ΔH_f, kcal/mol:	41.68
Dipole, Da:	6.74
IP(EA), eV:	-9.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[2-(triazol-1-yl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCN2C=CN=N2)[N+](=O)[O-]

DOS

IR

Vibrations