Geometry & MOs

Info

ID:	435968
PubChem CID:	135193075
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	409.218784
ΔH_f, kcal/mol:	24.1
Dipole, Da:	3.07
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4a,6,7,9a-tetrahydropyrido[2,3-b]indol-9-yl)-6-[(4-methylphenyl)sulfanylamino]hexan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C1=CC2C(C=C1)NC3=CCCC=C23

DOS

IR

Vibrations