Geometry & MOs

Info

ID:	331468
PubChem CID:	127248875
Reduced:	FON6C24H31 (1)
Stoich.:	ABC6D24E31 (1)
Weight, g/mol:	436.238688
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	4.8
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C)C

DOS

IR

Vibrations