Geometry & MOs

Info

ID:	375001
PubChem CID:	131408734
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	210.055991
ΔH_f, kcal/mol:	3.58
Dipole, Da:	2.87
IP(EA), eV:	-9.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5-chloro-4-ethyl-2-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations