Geometry & MOs

Info

ID:	398065
PubChem CID:	135031606
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-219.42
Dipole, Da:	5.2
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)[C@@]1(CCCC1=O)C2=CC=CC=C2

DOS

IR

Vibrations