Geometry & MOs

Info

ID:	275244
PubChem CID:	103814787
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	4.67
IP(EA), eV:	-9.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NCC1=NC=C(S1)C)N

DOS

IR

Vibrations