Geometry & MOs

Info

ID:	372738
PubChem CID:	131303713
Reduced:	ClSN2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	212.035255
ΔH_f, kcal/mol:	44.91
Dipole, Da:	1.36
IP(EA), eV:	-8.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-chloro-6-hydroxy-2-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CN1C(=CC=C1N)C2=C(C=CS2)Cl

DOS

IR

Vibrations