Geometry & MOs

Info

ID:	332205
PubChem CID:	127250491
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	4.19
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylpyrimidin-4-yl)-2-[6-(3-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations