Geometry & MOs

Info

ID:	245828
PubChem CID:	103024124
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	3.74
IP(EA), eV:	-9.41(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations