Geometry & MOs

Info

ID:	252691
PubChem CID:	103113261
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	5.85
IP(EA), eV:	-9.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(C=NC=C1)C#CCO

DOS

IR

Vibrations