Geometry & MOs

Info

ID:	332168
PubChem CID:	127250454
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	362.143056
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	3.23
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CN=C(C=C3)N

DOS

IR

Vibrations