Geometry & MOs

Info

ID:	266518
PubChem CID:	103568481
Reduced:	Cl2O2N3H9C13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	211.003621
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	3.72
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-5-methoxyphenyl) carbonochloridate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OC2=C(C=C(C(=N2)N)Cl)Cl

DOS

IR

Vibrations