Geometry & MOs

Info

ID:	252985
PubChem CID:	103115311
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	4.6
IP(EA), eV:	-9.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methoxypropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(COC)N1C(=C(N=N1)C(=O)OC)C2=CN(N=C2)C

DOS

IR

Vibrations