Geometry & MOs

Info

ID:	251615
PubChem CID:	103105328
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	4.49
IP(EA), eV:	-10.21(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CCC2)C(C)C

DOS

IR

Vibrations