Geometry & MOs

Info

ID:	331910
PubChem CID:	127250196
Reduced:	F3O3N4H21C22 (1)
Stoich.:	A3B3C4D21E22 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-155.15
Dipole, Da:	5.6
IP(EA), eV:	-9.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NON=C1CC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations