Geometry & MOs

Info

ID:	371689
PubChem CID:	131270525
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	6.56
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-methoxy-4-methylphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

COCC1=C(N=C(N1)C2=CSC=C2)C(=O)O

DOS

IR

Vibrations