Geometry & MOs

Info

ID:	331382
PubChem CID:	127248789
Reduced:	FON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	408.207388
ΔH_f, kcal/mol:	3.06
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C)C

DOS

IR

Vibrations