Geometry & MOs

Info

ID:	121122
PubChem CID:	50756629
Reduced:	O3N4C31H32 (1)
Stoich.:	A3B4C31D32 (1)
Weight, g/mol:	478.236876
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	3.65
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6-methyl-4-oxo-2-phenyl-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3CC2(C)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations