Geometry & MOs

Info

ID:	252970
PubChem CID:	103115252
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	58.13
Dipole, Da:	7.28
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(methylamino)-3-oxopropyl]-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=CSC=N3)C(=O)OC

DOS

IR

Vibrations