Geometry & MOs

Info

ID:	333051
PubChem CID:	127251475
Reduced:	ON5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	421.227789
ΔH_f, kcal/mol:	39.56
Dipole, Da:	1.27
IP(EA), eV:	-8.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=CC(=NC(=C2)C)C3CN(CCO3)CC4=CN=C(N=C4)N(C)C

DOS

IR

Vibrations