Geometry & MOs

Info

ID:	313005
PubChem CID:	126610714
Reduced:	BrPO5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-249.1
Dipole, Da:	4.94
IP(EA), eV:	-9.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aR,4R)-1,2,4-trimethyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCC)OC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations