Geometry & MOs

Info

ID:	373176
PubChem CID:	131311139
Reduced:	ClNO3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	211.003621
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	1.94
IP(EA), eV:	-9.29(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-hydroxy-3-methoxybenzoyl cyanide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)C(=O)C#N)Cl

DOS

IR

Vibrations