Geometry & MOs

Info

ID:	122179
PubChem CID:	50797000
Reduced:	ClO2N5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	475.177503
ΔH_f, kcal/mol:	25.01
Dipole, Da:	1.59
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations