Geometry & MOs

Info

ID:	251795
PubChem CID:	103107017
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-31.24
Dipole, Da:	2.05
IP(EA), eV:	-8.59(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-butyl-5-cyclopropyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CNC=C1

DOS

IR

Vibrations