Geometry & MOs

Info

ID:	121119
PubChem CID:	50756475
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	480.216141
ΔH_f, kcal/mol:	-71.62
Dipole, Da:	2.64
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2(CN3C4=C(C=C3C(=O)N2CC5=CC=CC=C5Cl)OC=C4)C

DOS

IR

Vibrations