Geometry & MOs

Info

ID:	411915
PubChem CID:	135084771
Reduced:	NOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	261.97418
ΔH_f, kcal/mol:	15.16
Dipole, Da:	5.79
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-hydroxypyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC(=C)C1=C(C2=CC=CC=C2N1)C=O

DOS

IR

Vibrations