Geometry & MOs

Info

ID:	245849
PubChem CID:	103024289
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	3.71
IP(EA), eV:	-9.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations