Geometry & MOs

Info

ID:	403525
PubChem CID:	135060660
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	428.01941
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	3.52
IP(EA), eV:	-9.24(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6,8-dimethyl-5-(4-methylphenyl)sulfonylpyrido[4,3-b]indole

Drug info:

PubChemData

Smile

CCCCC[C@H]1C[C@@H]1C(=O)N(C)OC

DOS

IR

Vibrations