Geometry & MOs

Info

ID:	407529
PubChem CID:	135080276
Reduced:	OSH12C14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	21.09
Dipole, Da:	1.22
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

C/C(=C\1/C2=CC=CC=C2CS1)/C3=CC=CO3

DOS

IR

Vibrations