Geometry & MOs

Info

ID:	123271
PubChem CID:	50840177
Reduced:	ON6C27H36 (1)
Stoich.:	AB6C27D36 (1)
Weight, g/mol:	475.305959
ΔH_f, kcal/mol:	24.26
Dipole, Da:	3.93
IP(EA), eV:	-8.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazolo[3,4-c]pyridin-7-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CN=C2N3CCC(CC3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)C(=N1)C

DOS

IR

Vibrations