Geometry & MOs

Info

ID:	252601
PubChem CID:	103112579
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	7.27
IP(EA), eV:	-9.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)N1CC(C1)C(=O)O

DOS

IR

Vibrations