Geometry & MOs

Info

ID:	184497
PubChem CID:	77169694
Reduced:	PF3O5N6C23H28 (1)
Stoich.:	AB3C5D6E23F28 (1)
Weight, g/mol:	389.220223
ΔH_f, kcal/mol:	-347.39
Dipole, Da:	4.6
IP(EA), eV:	-9.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCC(N1C2C(NC(NC2=O)C3CC3)N=C1C4=CN(N=C4)CC5=CC(=CC=C5)C(F)(F)F)OP(=O)(O)O

DOS

IR

Vibrations