Geometry & MOs

Info

ID:	251652
PubChem CID:	103105679
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	311.114903
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	6.85
IP(EA), eV:	-9.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CCCC2CCCO2)C(=O)OC

DOS

IR

Vibrations