Geometry & MOs

Info

ID:	332036
PubChem CID:	127250322
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	28.45
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)CC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations