Geometry & MOs

Info

ID:	12657
PubChem CID:	142869
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-23.12
Dipole, Da:	4.31
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CC#N)Br)OC

DOS

IR

Vibrations