Geometry & MOs

Info

ID:	374790
PubChem CID:	131344563
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	27.94
Dipole, Da:	2.67
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-ethyl-5-methoxyphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)Br)CC#N)CO

DOS

IR

Vibrations