Geometry & MOs

Info

ID:	28358
PubChem CID:	827188
Reduced:	ClSN2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	63.28
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1,2,3,5,6,7-hexahydro-s-indacen-1-yl]-2-piperidin-1-ylacetamide

Drug info:

PubChemData

Smile

CN(C)CC[C@@H](C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations