Geometry & MOs

Info

ID:	406042
PubChem CID:	135076333
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	392.07495
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	2.38
IP(EA), eV:	-8.65(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,11bS)-3-[(Z)-2-iodobut-2-enyl]-1,2,3a,4,6a,7-hexahydropyrrolo[2,3-d]carbazole

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C=NCC3=CC=CC=C3

DOS

IR

Vibrations