Geometry & MOs

Info

ID:	252080
PubChem CID:	103108930
Reduced:	ON3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	297.099252
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	4.8
IP(EA), eV:	-8.75(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCCCN1CCCC1

DOS

IR

Vibrations