Geometry & MOs

Info

ID:	121210
PubChem CID:	50758881
Reduced:	ClN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	5.95
IP(EA), eV:	-9.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(benzylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=C(C(=CC=C3)Cl)C)(C)C(=O)NC4CCCC4

DOS

IR

Vibrations