Geometry & MOs

Info

ID:	225714
PubChem CID:	87225387
Reduced:	NaO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	33.71
IP(EA), eV:	-6.68(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-5-formyl-4-(2-methoxyethoxymethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CCC)C(=O)[O-].[Na+]

DOS

IR

Vibrations