Geometry & MOs

Info

ID:	29297
PubChem CID:	832856
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	323.074678
ΔH_f, kcal/mol:	39.59
Dipole, Da:	9.41
IP(EA), eV:	-8.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperidin-1-ylethyl 3-chloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3

DOS

IR

Vibrations