Geometry & MOs

Info

ID:	388282
PubChem CID:	134988683
Reduced:	NSC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	56.52
Dipole, Da:	0.94
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2aR,8aS)-2a,3,5,6,7,8-hexahydro-2H-cyclobuta[c]indol-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=NC2=CC=CC=C2)SC

DOS

IR

Vibrations