Geometry & MOs

Info

ID:	26114
PubChem CID:	638992
Reduced:	NO3C6H11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-230.71
Dipole, Da:	2.38
IP(EA), eV:	-8.89(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[3,2-b]carbazol-2-one

Drug info:

PubChemData

Smile

CCOCCOC(=NN(C)C)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations