Geometry & MOs

Info

ID:	449098
PubChem CID:	135295974
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	3.08
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-but-3-ynylpyrazole

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC=C(N=C1)C(C)(C)C

DOS

IR

Vibrations