Geometry & MOs

Info

ID:	1594
PubChem CID:	4745
Reduced:	SN2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	314.18167
ΔH_f, kcal/mol:	20.99
Dipole, Da:	1.64
IP(EA), eV:	-8.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

Drug info:

PubChemData

Smile

CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC

DOS

IR

Vibrations