Geometry & MOs

Info

ID:	331492
PubChem CID:	127248899
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	418.209028
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	4.9
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-[5-[2-(2-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC(C)OCC(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CN=CN=C3)N(C)C

DOS

IR

Vibrations