Geometry & MOs

Info

ID:	380004
PubChem CID:	134964469
Reduced:	BrO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	227.076871
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	6.08
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-thiophen-2-ylbutanenitrile

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1Br)C=O)OC

DOS

IR

Vibrations