Geometry & MOs

Info

ID:	331832
PubChem CID:	127250118
Reduced:	FOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	399.117211
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	2.68
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations