Geometry & MOs

Info

ID:	407846
PubChem CID:	135080601
Reduced:	BO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	198.079313
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	2.43
IP(EA), eV:	-10.27(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-1-oxidopyrido[2,3-b]indol-1-ium

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(C)CCCC

DOS

IR

Vibrations