Geometry & MOs

Info

ID:	332305
PubChem CID:	127250591
Reduced:	FO2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	449.21147
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-0.6)
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-[(4-methoxyphenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations