Geometry & MOs

Info

ID:	333753
PubChem CID:	127252305
Reduced:	ON6C25H28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	400.151096
ΔH_f, kcal/mol:	39.57
Dipole, Da:	5.33
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrimidin-5-yl-2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C4=CN=CN=C4)CCCC5=CC=CC=C5

DOS

IR

Vibrations