Geometry & MOs

Info

ID:	8596
PubChem CID:	79374
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	3.94
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-2-isocyanatobenzene

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N=C=O

DOS

IR

Vibrations