Geometry & MOs

Info

ID:	372980
PubChem CID:	131307980
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	3.12
IP(EA), eV:	-9.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-(methoxymethyl)phenyl]-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)Cl)C(C#N)O

DOS

IR

Vibrations