Geometry & MOs

Info

ID:	372529
PubChem CID:	131299320
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	6.11
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-methoxy-3-methylphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=C(C=CC(=C1OC)O)Br

DOS

IR

Vibrations