Geometry & MOs

Info

ID:	386530
PubChem CID:	134982048
Reduced:	FeNO4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	25.73
Dipole, Da:	2.42
IP(EA), eV:	-7.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-2-[(1R)-cyclohepta-2,4-dien-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H](/C=C\C=C\C#N)OCC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations