Geometry & MOs

Info

ID:	21764
PubChem CID:	589806
Reduced:	NO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	3.96
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-isocyanatobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)N=C=O

DOS

IR

Vibrations