Geometry & MOs

Info

ID:	245799
PubChem CID:	103023990
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	4.14
IP(EA), eV:	-9.15(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylthiadiazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(CN)C(=O)CCC1=CN(N=C1)C

DOS

IR

Vibrations