Geometry & MOs

Info

ID:	398904
PubChem CID:	135036171
Reduced:	NO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	213.15175
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	4.14
IP(EA), eV:	-10.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8S)-4,5,6,8-tetramethyl-1,6,7,8-tetrahydrocyclopenta[g]indole

Drug info:

PubChemData

Smile

COC1=NCC(=O)OC1

DOS

IR

Vibrations