Geometry & MOs

Info

ID:	122162
PubChem CID:	50796526
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	483.263425
ΔH_f, kcal/mol:	62.87
Dipole, Da:	2.72
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN3C2=CC(=N3)C4=CC=CC=C4)C(=O)C5=CC=CO5

DOS

IR

Vibrations