Geometry & MOs

Info

ID:	404768
PubChem CID:	135070661
Reduced:	SO4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	326.272199
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	1.5
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-undecyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS/C(=C\C(=O)[O-])/C(=O)[O-]

DOS

IR

Vibrations