Geometry & MOs

Info

ID:	391290
PubChem CID:	135004161
Reduced:	CrN2O7C29H30 (1)
Stoich.:	AB2C7D29E30 (1)
Weight, g/mol:	320.99761
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	1.67
IP(EA), eV:	-8.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-1,3-dimethyl-5-(trifluoromethyl)indol-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=[Cr])C2=NNC[C@@H]2C3=CC=CO3)C(C)(C)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations