Geometry & MOs

Info

ID:	173772
PubChem CID:	75680037
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	368.127813
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	2.15
IP(EA), eV:	-9.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-[1-(5-methylpyrazol-1-yl)propan-2-yl]-2,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC(C)C(=O)NCC2=CC(=NO2)C

DOS

IR

Vibrations