Geometry & MOs

Info

ID:	121211
PubChem CID:	50758882
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	480.156433
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	4.55
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(benzylcarbamoyl)-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC=CC=C3C)(C)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations