Geometry & MOs

Info

ID:	253478
PubChem CID:	103118694
Reduced:	N4O4C11H20 (1)
Stoich.:	A4B4C11D20 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-130.7
Dipole, Da:	1.45
IP(EA), eV:	-9.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC(CN1C(=C(N=N1)C(=O)OC)CCN)O

DOS

IR

Vibrations