Geometry & MOs

Info

ID:	332037
PubChem CID:	127250323
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	13.07
Dipole, Da:	1.22
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations