Geometry & MOs

Info

ID:	121207
PubChem CID:	50758878
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-136.87
Dipole, Da:	5.85
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(cyclohexylcarbamoyl)-5-(3,5-dimethylphenyl)-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(=C(C=C3)C)C)(C)C(=O)NC4CCCCC4

DOS

IR

Vibrations