Geometry & MOs

Info

ID:	331834
PubChem CID:	127250120
Reduced:	ClOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	433.143568
ΔH_f, kcal/mol:	25.53
Dipole, Da:	2.13
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations