Geometry & MOs

Info

ID:	174282
PubChem CID:	75747621
Reduced:	OSCl3N3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	45.29
Dipole, Da:	4.27
IP(EA), eV:	-9.09(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-(2-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1N(CSC2=NC(=CC3=CC=CC=C3Cl)C(=O)N21)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations