Geometry & MOs

Info

ID:	343371
PubChem CID:	127266544
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	7.09
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpyrazol-3-yl)but-1-en-2-yl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)C(=CC2=CSC(=N2)N(C)C(=O)C)CC

DOS

IR

Vibrations