Geometry & MOs

Info

ID:	331461
PubChem CID:	127248868
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	436.238688
ΔH_f, kcal/mol:	53.26
Dipole, Da:	4.68
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N,N-dimethyl-4-[4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C/C=C/C3=CC=CC=C3OC)C4=CN=CN=C4

DOS

IR

Vibrations