Geometry & MOs

Info

ID:	398740
PubChem CID:	135035161
Reduced:	N3O3H13C19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	313.90132
ΔH_f, kcal/mol:	85.15
Dipole, Da:	2.82
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3,6-dichloro-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

C=CC1CC([C@@H]2[C@]1(OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-])(C#N)C#N

DOS

IR

Vibrations