Geometry & MOs

Info

ID:	251943
PubChem CID:	103108011
Reduced:	N3O3C8H13 (1)
Stoich.:	A3B3C8D13 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	4.83
IP(EA), eV:	-10.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(1-butan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations