Geometry & MOs

Info

ID:	238343
PubChem CID:	92740961
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	3.09
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-N-benzyl-2-tert-butyl-6-methyl-5-(4-methylphenyl)-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)OC)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations