Geometry & MOs

Info

ID:	148377
PubChem CID:	53788039
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	393.187484
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	3.38
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-3-methoxy-1-(3-phenylprop-2-enyl)piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCC(=O)NN=C(C)C1=CC=CC=C1

DOS

IR

Vibrations