Geometry & MOs

Info

ID:	3969
PubChem CID:	10510
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	4.18
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one

Drug info:

PubChemData

Smile

CN1C[C@]2(C3CC4[C@]5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C

DOS

IR

Vibrations