Geometry & MOs

Info

ID:	332302
PubChem CID:	127250588
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	437.247855
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	3.53
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC(=CC=C2)Cl)C3=CC=CC(=N3)C4=CN=C(N=C4)N

DOS

IR

Vibrations