Geometry & MOs

Info

ID:	331687
PubChem CID:	127249770
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	1.44
Dipole, Da:	0.94
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C(C5=CC=CC=C5O4)C

DOS

IR

Vibrations