Geometry & MOs

Info

ID:	331900
PubChem CID:	127250186
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	407.212139
ΔH_f, kcal/mol:	54.38
Dipole, Da:	0.66
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations