Geometry & MOs

Info

ID:	122178
PubChem CID:	50796999
Reduced:	ClON5C28H30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	475.177503
ΔH_f, kcal/mol:	40.81
Dipole, Da:	4.67
IP(EA), eV:	-8.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)NCCC5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations