Geometry & MOs

Info

ID:	252990
PubChem CID:	103115336
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	7.91
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(1-methylpyrazol-4-yl)-1-pentan-3-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)OCC)C2=CN(N=C2)C

DOS

IR

Vibrations