Geometry & MOs

Info

ID:	67938
PubChem CID:	46507475
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	451.141117
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	4.31
IP(EA), eV:	-8.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-benzyl-2-ethyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl)-N-(3-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)COC1=CC(=NC2=C1C=C(C=C2)N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations