Geometry & MOs

Info

ID:	121212
PubChem CID:	50758883
Reduced:	ClN4O4C25H25 (1)
Stoich.:	AB4C4D25E25 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	6.98
IP(EA), eV:	-9.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2,3-dimethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-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=C(C(=CC=C3)Cl)C)(C)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations