Geometry & MOs

Info

ID:	332221
PubChem CID:	127250507
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	14.5
Dipole, Da:	4.56
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N

DOS

IR

Vibrations