Geometry & MOs

Info

ID:	251830
PubChem CID:	103107226
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	4.3
IP(EA), eV:	-10.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(COC(C)C)O)C2CC2

DOS

IR

Vibrations