Geometry & MOs

Info

ID:	174258
PubChem CID:	75745905
Reduced:	N3O3C23H34 (1)
Stoich.:	A3B3C23D34 (1)
Weight, g/mol:	328.184744
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	2.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.199979
Charge, e:	1

Chem-info

IUPAC name:

4-phenyl-2-[(3-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC(=N3)C)OC

DOS

IR

Vibrations