Geometry & MOs

Info

ID:	251595
PubChem CID:	103105173
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-34.13
Dipole, Da:	4.64
IP(EA), eV:	-10.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2CC2)C

DOS

IR

Vibrations