Geometry & MOs

Info

ID:	122158
PubChem CID:	50796480
Reduced:	ON5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	475.177503
ΔH_f, kcal/mol:	70.08
Dipole, Da:	2.88
IP(EA), eV:	-8.28(-0.56)
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-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCN(CC4)C5=CC=C(C=C5)C

DOS

IR

Vibrations