Geometry & MOs

Info

ID:	331777
PubChem CID:	127250061
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	1.81
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations