Geometry & MOs

Info

ID:	411854
PubChem CID:	135084699
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	1.89
IP(EA), eV:	-9.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole

Drug info:

PubChemData

Smile

CCCCCC#CC(=O)C(C(=O)OC)OC

DOS

IR

Vibrations