Geometry & MOs

Info

ID:	411812
PubChem CID:	135084657
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	209.058912
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	3.13
IP(EA), eV:	-9.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(C(=O)C1=CC=C(C=C1)Br)C(=O)OC

DOS

IR

Vibrations