Geometry & MOs

Info

ID:	238351
PubChem CID:	92740970
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	0.97
IP(EA), eV:	-9.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N-benzyl-2-tert-butyl-5-[(3-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC(=N2)C(C)(C)C)C(=O)N1CC3=CC(=CC=C3)F)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations