Geometry & MOs

Info

ID:	331381
PubChem CID:	127248788
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	408.207388
ΔH_f, kcal/mol:	31.8
Dipole, Da:	2.18
IP(EA), eV:	-8.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C3=NC=CC=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations