Geometry & MOs

Info

ID:	331875
PubChem CID:	127250161
Reduced:	FON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	366.124739
ΔH_f, kcal/mol:	9.46
Dipole, Da:	2.46
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CC=N2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations