Geometry & MOs

Info

ID:	142522
PubChem CID:	53049847
Reduced:	ClN4O4H25C28 (1)
Stoich.:	AB4C4D25E28 (1)
Weight, g/mol:	486.145868
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	4.36
IP(EA), eV:	-8.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CCN4C3=CC(=N4)C5=CC(=CC=C5)Cl)OC

DOS

IR

Vibrations