Geometry & MOs

Info

ID:	238350
PubChem CID:	92740969
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	2.54
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-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

CC1=CC=CC=C1CN2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCC4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations