Geometry & MOs

Info

ID:	59436
PubChem CID:	24866384
Reduced:	FO4N6H17C21 (1)
Stoich.:	AB4C6D17E21 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	3.4
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,4-dimethyl-1,2-dimorpholin-4-yl-1-phenylpentan-3-one

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)C2=C/C(=C\3/NNC(=O)N3C4=CC=CC=C4F)/C(=O)C=C2O

DOS

IR

Vibrations