Geometry & MOs

Info

ID:	185996
PubChem CID:	77375953
Reduced:	S2N5O5C12H12 (1)
Stoich.:	A2B5C5D12E12 (1)
Weight, g/mol:	341.271865
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780770
Charge, e:	0

Chem-info

IUPAC name:

9a,11a-dimethyl-1-pentyl-1,2,3,3a,3b,4,5,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C[N+]1=NC(=O)C(=O)N=C1SCC2=C(N3C(CC3=O)SC2N)C(=O)O

DOS

IR

Vibrations