Geometry & MOs

Info

ID:	396389
PubChem CID:	135028242
Reduced:	NYO2C3H6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	385.179027
ΔH_f, kcal/mol:	25.74
Dipole, Da:	2.49
IP(EA), eV:	-6.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(3E)-3-benzylidenecyclopenten-1-yl]-phenylmethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C[CH-]C[N+](=O)[O-].[Y]

DOS

IR

Vibrations