Geometry & MOs

Info

ID:	251523
PubChem CID:	103104618
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	4.96
IP(EA), eV:	-9.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyclopentyl-5-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)OCC)C2=CC=CC=C2

DOS

IR

Vibrations