Geometry & MOs

Info

ID:	251761
PubChem CID:	103106746
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	5.58
IP(EA), eV:	-7.91(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=N1)NC(C)C(=O)N(C)CC)N

DOS

IR

Vibrations