Geometry & MOs

Info

ID:	333114
PubChem CID:	127251662
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	6.86
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=CC(=CC=C3)Cl)NC4=CC=CC=N4

DOS

IR

Vibrations