Geometry & MOs

Info

ID:	372739
PubChem CID:	131303720
Reduced:	ClN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	212.035255
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	2.73
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-chloro-5-hydroxy-4-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C(C#N)N)O)Cl

DOS

IR

Vibrations