Geometry & MOs

Info

ID:	331872
PubChem CID:	127250158
Reduced:	N2O2F3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-209.06
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-benzylpyridin-2-yl)-4-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations