Geometry & MOs

Info

ID:	373089
PubChem CID:	131309727
Reduced:	NOBr2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	290.87174
ΔH_f, kcal/mol:	11.47
Dipole, Da:	4.49
IP(EA), eV:	-9.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6-dibromo-2-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)CC#N)Br)O

DOS

IR

Vibrations