Geometry & MOs

Info

ID:	333719
PubChem CID:	127252271
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	441.166411
ΔH_f, kcal/mol:	35.29
Dipole, Da:	4.6
IP(EA), eV:	-9.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NC=C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations