Geometry & MOs

Info

ID:	191165
PubChem CID:	78113701
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	8.81
IP(EA), eV:	-9.62(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,5-dimethyl-3-(4-methylphenyl)-7-oxo-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN3C(=NC(=C(C3=O)CCC(=O)O)C)C12)C

DOS

IR

Vibrations