Geometry & MOs

Info

ID:	393993
PubChem CID:	135022137
Reduced:	NO2H4C6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-32.97
Dipole, Da:	0.02
IP(EA), eV:	-9.92(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5aS,6aR,9R)-4-acetyl-7-methyl-5,5a,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C1C(=NOC1=O)C2=CC=C(C=C2)C3=NOC(=O)C3

DOS

IR

Vibrations