Geometry & MOs

Info

ID:	183862
PubChem CID:	77082644
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	2.54
IP(EA), eV:	-9.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

C1CN(CCC1OCC2=CN=CC=C2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations