Geometry & MOs

Info

ID:	306027
PubChem CID:	125000725
Reduced:	FON5H24C27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	32.4
Dipole, Da:	4.4
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[(2R)-2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=CC(=N2)C3=CN=CN=C3)C4=CC=CC(=N4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations