Geometry & MOs

Info

ID:	245831
PubChem CID:	103024138
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	11.23
Dipole, Da:	4.06
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations