Geometry & MOs

Info

ID:	332336
PubChem CID:	127250622
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	3.02
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-4-(4-fluoro-3-methylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CNN=C4)F

DOS

IR

Vibrations