Geometry & MOs

Info

ID:	373695
PubChem CID:	131318869
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	4.67
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1Cl)C(C#N)O)OC

DOS

IR

Vibrations