Geometry & MOs

Info

ID:	251932
PubChem CID:	103107944
Reduced:	ON2Cl3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	4.15
IP(EA), eV:	-9.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2,5-diethylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=C(C=CC(=C1Cl)Cl)Cl

DOS

IR

Vibrations