Geometry & MOs

Info

ID:	121206
PubChem CID:	50758821
Reduced:	FO3N5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	9.24
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations