Geometry & MOs

Info

ID:	332113
PubChem CID:	127250399
Reduced:	FO3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	449.21147
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	3.5
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCOC2=CC(=CC=C2)F)C3=NC=C(C=C3)C4=CN=C(N=C4)N

DOS

IR

Vibrations