Geometry & MOs

Info

ID:	320788
PubChem CID:	126663375
Reduced:	I2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	68.47
Dipole, Da:	5.43
IP(EA), eV:	-8.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-7-nitroindole

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1)C2=NC3=C4C(=C(C(=C3I)I)C)CCCN4C2

DOS

IR

Vibrations