Geometry & MOs

Info

ID:	373694
PubChem CID:	131318863
Reduced:	N4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	55.72
Dipole, Da:	3.39
IP(EA), eV:	-9.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=C(C=NC=C2)C(C)N

DOS

IR

Vibrations