Geometry & MOs

Info

ID:	386417
PubChem CID:	134981673
Reduced:	MnNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	198.115698
ΔH_f, kcal/mol:	26.97
Dipole, Da:	5.8
IP(EA), eV:	-7.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(1-methylindol-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C[CH]1.CC(=[Mn])NC.[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations