Geometry & MOs

Info

ID:	122159
PubChem CID:	50796510
Reduced:	ClO2N5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	463.157516
ΔH_f, kcal/mol:	23.41
Dipole, Da:	1.6
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN4C3=CC(=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations