Geometry & MOs

Info

ID:	332299
PubChem CID:	127250585
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	24.19
Dipole, Da:	3.42
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydroindazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=NN2CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=NN5

DOS

IR

Vibrations