Geometry & MOs

Info

ID:	121121
PubChem CID:	50756628
Reduced:	O2N4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	508.247441
ΔH_f, kcal/mol:	30.22
Dipole, Da:	3.22
IP(EA), eV:	-9.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3=CC(=NN3CC2(C)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations